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

C11H17ClN4O2 — CID 114582545

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H17ClN4O2/c1-4-6(2)15-10(17)7(3)16-5-14-9(12)8(13)11(16)18/h5-7H,4,13H2,1-3H3,(H,15,17)
InChIKeyWGVXJHVTOLMRFB-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.95
Rot. Bonds4

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide (PubChem CID 114582545) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide
PubChem CID114582545
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C11H17ClN4O2/c1-4-6(2)15-10(17)7(3)16-5-14-9(12)8(13)11(16)18/h5-7H,4,13H2,1-3H3,(H,15,17)
InChIKeyWGVXJHVTOLMRFB-UHFFFAOYSA-N
XLogP0.95
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
6-Methyl-5-(methylamino)-3-(3-oxobutan-2-yl)pyrimidin-4-one
CID 20671629
2-[2-chloro-4-methyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092970
N-(4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)isobutyramide
CID 135741768
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)butanamide
CID 135802456
4-chloro-5-(ethylamino)-1H-pyrimidin-6-one;ethane
CID 143220714
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
N-butan-2-yl-2-(5-iodo-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66342666
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-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide (CID 114582545) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide?
The InChIKey is WGVXJHVTOLMRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-6(2)15-10(17)7(3)16-5-14-9(12)8(13)11(16)18/h5-7H,4,13H2,1-3H3,(H,15,17).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 0.95, 4 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-butan-2-ylpropanamide is sourced from PubChem (CID 114582545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).