Name: Name:4,5-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-
Brand: Angene
SKU: AG000UQ4
Rating: 90 (10 reviews)

4,5-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-

CAS No.:

130623-81-3

Catalog Number:

AG000UQ4

Molecular Formula:

C6H9ClN4

Molecular Weight:

172.6155

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Product Description

Catalog Number:

AG000UQ4

Chemical Name:

4,5-Pyrimidinediamine, 6-chloro-N4,N4-dimethyl-

CAS Number:

130623-81-3

Molecular Formula:

C6H9ClN4

Molecular Weight:

172.6155

MDL Number:

MFCD03701725

IUPAC Name:

6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine

InChI:

InChI=1S/C6H9ClN4/c1-11(2)6-4(8)5(7)9-3-10-6/h3H,8H2,1-2H3

InChI Key:

RFKXBMROGCCOFS-UHFFFAOYSA-N

SMILES:

CN(c1ncnc(c1N)Cl)C

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

172.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

172.616g/mol

Monoisotopic Mass:

172.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties