2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

C11H14ClN3O2 — CID 114581799

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(16)15(7)6-11(17)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyZNGUGVYBYOOGRC-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.83
Rot. Bonds3

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 114581799) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID114581799
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C1CC1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(16)15(7)6-11(17)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3
InChIKeyZNGUGVYBYOOGRC-UHFFFAOYSA-N
XLogP0.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66343173
6-Chloro-2-methyl-3-pentan-2-ylpyrimidin-4-one
CID 107885721
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604530
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 113604544
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 113604565
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 113604568
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 113604571
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 113604615

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide (CID 114581799) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is Cc1nc(Cl)cc(=O)n1CC(=O)N(C)C1CC1.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is ZNGUGVYBYOOGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-13-9(12)5-10(16)15(7)6-11(17)14(2)8-3-4-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 255.70 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 114581799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).