2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

C9H13ClN4O2 — CID 114582538

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,11H2,1-3H3
InChIKeyXSZBRHNHHVNWRJ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.13
Rot. Bonds2

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114582538) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114582538
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,11H2,1-3H3
InChIKeyXSZBRHNHHVNWRJ-UHFFFAOYSA-N
XLogP0.13
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114582538) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is XSZBRHNHHVNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5(8(15)13(2)3)14-4-12-7(10)6(11)9(14)16/h4-5H,11H2,1-3H3.
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 244.68 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 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,N-dimethylpropanamide is sourced from PubChem (CID 114582538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).