4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

C9H13ClN4O2 — CID 114582719

IUPAC4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-12-6(15)3-2-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyRETVTPRODKMEQI-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.01
Rot. Bonds4

About 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114582719) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114582719
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-12-6(15)3-2-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15)
InChIKeyRETVTPRODKMEQI-UHFFFAOYSA-N
XLogP0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.01
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)butanamide
CID 135802456
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
CID 135802459
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114582719) is 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is RETVTPRODKMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-12-6(15)3-2-4-14-5-13-8(10)7(11)9(14)16/h5H,2-4,11H2,1H3,(H,12,15).
What are the key properties of 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 244.68 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114582719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).