2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one

C9H13ClN2O — CID 91339897

IUPAC2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one
SMILESCCCn1c(Cl)nc(C)c(C)c1=O
InChIInChI=1S/C9H13ClN2O/c1-4-5-12-8(13)6(2)7(3)11-9(12)10/h4-5H2,1-3H3
InChIKeyVGLRMWRJGLTKKH-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one

2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one (PubChem CID 91339897) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one
PubChem CID91339897
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one
SMILESCCCn1c(Cl)nc(C)c(C)c1=O
InChIInChI=1S/C9H13ClN2O/c1-4-5-12-8(13)6(2)7(3)11-9(12)10/h4-5H2,1-3H3
InChIKeyVGLRMWRJGLTKKH-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-2-methoxy-5-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68985517
2-amino-3-ethyl-5,6-dimethylpyrimidin-4(3H)-one
CID 641973
5,6-Dimethyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 162589057
3,5,6-Trimethylpyrimidin-4-one
CID 13149274
2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
2,3,7,8-tetramethyl-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 59119712
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
3-(Cyclopropylmethyl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 68348334
6-Chloro-5-methyl-3-propan-2-ylpyrimidin-4-one
CID 91452877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one?
The IUPAC name of 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one (CID 91339897) is 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one.
What is the SMILES notation for 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one?
The canonical SMILES for 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one is CCCn1c(Cl)nc(C)c(C)c1=O.
What is the InChIKey of 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one?
The InChIKey is VGLRMWRJGLTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-4-5-12-8(13)6(2)7(3)11-9(12)10/h4-5H2,1-3H3.
What are the key properties of 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one?
2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one has a molecular weight of 200.67 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dimethyl-3-propylpyrimidin-4-one is sourced from PubChem (CID 91339897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).