6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one

C9H13ClN2O — CID 114584956

IUPAC6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
SMILESCCn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O/c1-4-12-8(13)5-7(10)11-9(12)6(2)3/h5-6H,4H2,1-3H3
InChIKeyKKCCODJEUWVOED-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.04
Rot. Bonds2

About 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one

6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 114584956) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
PubChem CID114584956
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one
SMILESCCn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C9H13ClN2O/c1-4-12-8(13)5-7(10)11-9(12)6(2)3/h5-6H,4H2,1-3H3
InChIKeyKKCCODJEUWVOED-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-propan-2-yl-3-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-one
CID 114584954
6-chloro-3-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-one
CID 114584988
6-chloro-3-(4,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
CID 114210085
6-chloro-3-(3-chloro-2-methylprop-2-enyl)-2-propan-2-ylpyrimidin-4-one
CID 106439758
6-chloro-3-(5-hydroxypentyl)-2-propan-2-ylpyrimidin-4-one
CID 114584966
3-(2-butoxyethyl)-6-chloro-2-propan-2-ylpyrimidin-4-one
CID 114584828
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
6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584888
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-methylpropanamide
CID 114585014
6-chloro-3-[2-(2-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
6-chloro-2-propan-2-yl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114584893

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one (CID 114584956) is 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one is CCn1c(C(C)C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is KKCCODJEUWVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-12-8(13)5-7(10)11-9(12)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 200.67 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114584956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).