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

C7H9ClN4O2 — CID 114582480

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H9ClN4O2/c1-10-4(13)2-12-3-11-6(8)5(9)7(12)14/h3H,2,9H2,1H3,(H,10,13)
InChIKeyGQVNRASFBRZDRT-UHFFFAOYSA-N
MW216.63 g/mol
LogP-0.78
Rot. Bonds2

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114582480) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114582480
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H9ClN4O2/c1-10-4(13)2-12-3-11-6(8)5(9)7(12)14/h3H,2,9H2,1H3,(H,10,13)
InChIKeyGQVNRASFBRZDRT-UHFFFAOYSA-N
XLogP-0.78
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide
CID 360601
pteridine-4,6(3H,5H)-dione, 3-methyl-
CID 133614651
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
n-(4-Amino-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)formamide
CID 245693
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582754
n-(6-Methyl-4-oxo-1,4-dihydropyrimidin-5-yl)acetamide
CID 135426857
6-Amino-5-butylamino-4(3H)-pyrimidinone
CID 135577490
2-[3-chloro-2-methyl-5-(methylamino)-6-oxopyrazin-1-yl]-N-methylacetamide
CID 60092865
2-[3-chloro-2-methyl-5-(methylamino)-6-oxopyrazin-1-yl]-N-ethylacetamide
CID 60092928

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114582480) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is GQVNRASFBRZDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-10-4(13)2-12-3-11-6(8)5(9)7(12)14/h3H,2,9H2,1H3,(H,10,13).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 216.63 g/mol, XLogP of -0.78, 2 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-methylacetamide is sourced from PubChem (CID 114582480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).