3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

C10H15ClN4O2 — CID 114582857

IUPAC3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)14-7(16)3-4-15-5-13-9(11)8(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,14,16)
InChIKeyALLLWGYFRGZTMG-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.39
Rot. Bonds4

About 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide

3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 114582857) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID114582857
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)14-7(16)3-4-15-5-13-9(11)8(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,14,16)
InChIKeyALLLWGYFRGZTMG-UHFFFAOYSA-N
XLogP0.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.39
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
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-[[3-[(4-amino-6-oxo-1H-pyrimidin-5-yl)amino]-3-oxopropyl]-methylamino]propanamide
CID 169130886
2-Amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941368
2-Amino-3-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)propanamide
CID 81941543
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide (CID 114582857) is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is ALLLWGYFRGZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6(2)14-7(16)3-4-15-5-13-9(11)8(12)10(15)17/h5-6H,3-4,12H2,1-2H3,(H,14,16).
What are the key properties of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide?
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 258.71 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114582857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).