Name: Name:5-(4-chlorophenyl)pyrimidine-2,4-diamine
Brand: Angene
SKU: AG01BABT
Rating: 90 (10 reviews)

5-(4-chlorophenyl)pyrimidine-2,4-diamine

CAS No.:

17039-14-4

Catalog Number:

AG01BABT

Molecular Formula:

C10H9ClN4

Molecular Weight:

220.6583

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Product Description

Catalog Number:

AG01BABT

Chemical Name:

5-(4-chlorophenyl)pyrimidine-2,4-diamine

CAS Number:

17039-14-4

Molecular Formula:

C10H9ClN4

Molecular Weight:

220.6583

MDL Number:

MFCD01689636

IUPAC Name:

5-(4-chlorophenyl)pyrimidine-2,4-diamine

InChI:

InChI=1S/C10H9ClN4/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)

InChI Key:

OBYDYFKZLKCNOC-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)c1cnc(nc1N)N

Properties

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.66g/mol

Monoisotopic Mass:

220.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach.	Journal of medicinal chemistry 20040812
Development of 2,4-diaminopyrimidines as antimalarials based on inhibition of the S108N and C59R+S108N mutants of dihydrofolate reductase from pyrimethamine-resistant Plasmodium falciparum.	Journal of medicinal chemistry 20020314