6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one

C13H17ClN4O — CID 103013478

IUPAC6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCc1ccnn1C
InChIInChI=1S/C13H17ClN4O/c1-9(2)13-16-11(14)8-12(19)18(13)7-5-10-4-6-15-17(10)3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyGWKIKSJPCDOQTR-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.00
Rot. Bonds4

About 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one

6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one (PubChem CID 103013478) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
PubChem CID103013478
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(Cl)cc(=O)n1CCc1ccnn1C
InChIInChI=1S/C13H17ClN4O/c1-9(2)13-16-11(14)8-12(19)18(13)7-5-10-4-6-15-17(10)3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyGWKIKSJPCDOQTR-UHFFFAOYSA-N
XLogP2.00
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-propan-2-yl-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114584884
6-chloro-2-propan-2-yl-3-(2-pyridin-2-ylethyl)pyrimidin-4-one
CID 114584819
6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
6-chloro-3-(4,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114210085
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-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
6-chloro-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584806
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585015
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584888
6-chloro-3-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584988

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one (CID 103013478) is 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(Cl)cc(=O)n1CCc1ccnn1C.
What is the InChIKey of 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one?
The InChIKey is GWKIKSJPCDOQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9(2)13-16-11(14)8-12(19)18(13)7-5-10-4-6-15-17(10)3/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one has a molecular weight of 280.76 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 103013478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).