2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

C12H19ClN4O2 — CID 114582496

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyFJPDXLSIGZECMG-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.20
Rot. Bonds5

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 114582496) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID114582496
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,15,18)
InChIKeyFJPDXLSIGZECMG-UHFFFAOYSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
3-(3-Methyl-2-oxobutyl)-5-(propan-2-ylamino)pyrimidin-4-one
CID 59915853
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604274
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide (CID 114582496) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is FJPDXLSIGZECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-7(2)4-5-15-11(18)8(3)17-6-16-10(13)9(14)12(17)19/h6-8H,4-5,14H2,1-3H3,(H,15,18).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 114582496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).