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

C10H14ClN3O2 — CID 114582057

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7(2)13(3)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,5H2,1-3H3
InChIKeyAWTQFXKYMXRCDK-UHFFFAOYSA-N
MW243.69 g/mol
LogP0.76
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114582057) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114582057
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(Cl)cc1=O
InChIInChI=1S/C10H14ClN3O2/c1-7(2)13(3)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,5H2,1-3H3
InChIKeyAWTQFXKYMXRCDK-UHFFFAOYSA-N
XLogP0.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
6-Chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604205
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114581631
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 114581636
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581671
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 114581799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114582057) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is AWTQFXKYMXRCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-7(2)13(3)10(16)5-14-6-12-8(11)4-9(14)15/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 243.69 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114582057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).