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

C12H18ClN3O2 — CID 114581979

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-4-5-8(2)14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeySWWOJZLSFFVSOX-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.51
Rot. Bonds5

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (PubChem CID 114581979) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
PubChem CID114581979
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C12H18ClN3O2/c1-4-5-8(2)14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeySWWOJZLSFFVSOX-UHFFFAOYSA-N
XLogP1.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 114581615
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 114584421
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(2-hydroxypropyl)-2-methylpyrimidin-4-one
CID 114581683
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-butyl-6-chloro-2-methylpyrimidin-4-one
CID 114581815
6-chloro-3-(2-ethylbutyl)-2-methylpyrimidin-4-one
CID 114582003
4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
6-chloro-3-(ethoxymethyl)-2-methylpyrimidin-4-one
CID 114581850
6-chloro-3-(5-hydroxypentyl)-2-methylpyrimidin-4-one
CID 114581824
6-chloro-2-methyl-3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 114581731

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide (CID 114581979) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is SWWOJZLSFFVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-5-8(2)14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 271.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 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-pentan-2-ylacetamide is sourced from PubChem (CID 114581979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).