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

C11H16ClN3O2 — CID 114581631

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)14(4)11(17)6-15-8(3)13-9(12)5-10(15)16/h5,7H,6H2,1-4H3
InChIKeyIHZXQVYLYTZIKU-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.07
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 114581631) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
PubChem CID114581631
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)N(C)C(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)14(4)11(17)6-15-8(3)13-9(12)5-10(15)16/h5,7H,6H2,1-4H3
InChIKeyIHZXQVYLYTZIKU-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-ethyl-2-methylpyrimidin-4-one
CID 114581811
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 7748971
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
6-Chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-one
CID 113604152
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-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
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-(3-methylbutan-2-yl)acetamide
CID 113604502
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide (CID 114581631) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide is Cc1nc(Cl)cc(=O)n1CC(=O)N(C)C(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is IHZXQVYLYTZIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)14(4)11(17)6-15-8(3)13-9(12)5-10(15)16/h5,7H,6H2,1-4H3.
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 257.72 g/mol, XLogP of 1.07, 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-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 114581631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).