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

C9H13ClN4O2 — CID 114582687

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-5(2)13-6(15)3-14-4-12-8(10)7(11)9(14)16/h4-5H,3,11H2,1-2H3,(H,13,15)
InChIKeyLDTGQMRAUVDXOM-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.00
Rot. Bonds3

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 114582687) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
PubChem CID114582687
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H13ClN4O2/c1-5(2)13-6(15)3-14-4-12-8(10)7(11)9(14)16/h4-5H,3,11H2,1-2H3,(H,13,15)
InChIKeyLDTGQMRAUVDXOM-UHFFFAOYSA-N
XLogP0.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.00
H-Bond Donors ≤ 52
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-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide (CID 114582687) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is LDTGQMRAUVDXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-5(2)13-6(15)3-14-4-12-8(10)7(11)9(14)16/h4-5H,3,11H2,1-2H3,(H,13,15).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 244.68 g/mol, XLogP of 0.00, 3 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-propan-2-ylacetamide is sourced from PubChem (CID 114582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).