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

C7H9ClN4O2 — CID 114582492

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(N)=O)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H9ClN4O2/c1-3(6(10)13)12-2-11-5(8)4(9)7(12)14/h2-3H,9H2,1H3,(H2,10,13)
InChIKeyKZPHJDPUCYHBRI-UHFFFAOYSA-N
MW216.63 g/mol
LogP-0.47
Rot. Bonds2

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582492) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582492
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(N)=O)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H9ClN4O2/c1-3(6(10)13)12-2-11-5(8)4(9)7(12)14/h2-3H,9H2,1H3,(H2,10,13)
InChIKeyKZPHJDPUCYHBRI-UHFFFAOYSA-N
XLogP-0.47
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
N-(4-Amino-6-oxo-1,6-dihydropyrimidin-5-YL)acetamide
CID 135441457
2-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 142232632
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
5-Amino-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604255
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-(2-methylpropyl)propanamide
CID 113604275
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582492) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide is CC(C(N)=O)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is KZPHJDPUCYHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-3(6(10)13)12-2-11-5(8)4(9)7(12)14/h2-3H,9H2,1H3,(H2,10,13).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 216.63 g/mol, XLogP of -0.47, 2 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)propanamide is sourced from PubChem (CID 114582492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).