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

C10H15ClN4O2 — CID 114582497

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4,12H2,1-3H3
InChIKeyWYODLASCWCMZIQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.35
Rot. Bonds3

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114582497) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114582497
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H15ClN4O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4,12H2,1-3H3
InChIKeyWYODLASCWCMZIQ-UHFFFAOYSA-N
XLogP0.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.35
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-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114582497) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is WYODLASCWCMZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-6(2)14(3)7(16)4-15-5-13-9(11)8(12)10(15)17/h5-6H,4,12H2,1-3H3.
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 258.71 g/mol, XLogP of 0.35, 3 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114582497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).