Home Other Building Blocks 2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one

2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one

CAS No.:
1250013-83-2
Catalog Number:
AG01EHS7
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
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Product Description
Catalog Number:
AG01EHS7
Chemical Name:
2-(pentan-3-yl)-3,4-dihydropyrimidin-4-one
CAS Number:
1250013-83-2
Molecular Formula:
C9H14N2O
Molecular Weight:
166.2203
MDL Number:
MFCD16706851
IUPAC Name:
2-pentan-3-yl-1,3-diazinan-4-one
InChI:
InChI=1S/C9H18N2O/c1-3-7(4-2)9-10-6-5-8(12)11-9/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChI Key:
AWQWCDHOCACUTK-UHFFFAOYSA-N
SMILES:
CCC(c1nccc(=O)[nH]1)CC
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.142g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.256g/mol
Monoisotopic Mass:
170.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties