3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide

C12H18ClN3O2 — CID 114585015

IUPAC3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C)c1nc(Cl)cc(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)12-14-9(13)7-11(18)16(12)6-5-10(17)15(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNHYRJCAPKGXSIJ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.50
Rot. Bonds4

About 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide

3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide (PubChem CID 114585015) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide
PubChem CID114585015
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide
SMILESCC(C)c1nc(Cl)cc(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)12-14-9(13)7-11(18)16(12)6-5-10(17)15(3)4/h7-8H,5-6H2,1-4H3
InChIKeyNHYRJCAPKGXSIJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
6-chloro-3-(5-hydroxypentyl)-2-propan-2-ylpyrimidin-4-one
CID 114584966
6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
CID 114584956
6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584888
6-chloro-3-(4,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114210085
6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584806
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 114581924
6-chloro-3-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584988
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
CID 106439758
6-chloro-3-[2-(2-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
3-(2-butoxyethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114584828

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide (CID 114585015) is 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide is CC(C)c1nc(Cl)cc(=O)n1CCC(=O)N(C)C.
What is the InChIKey of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is NHYRJCAPKGXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(2)12-14-9(13)7-11(18)16(12)6-5-10(17)15(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide?
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 271.75 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 114585015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).