6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one

C8H11ClN2O — CID 91452877

IUPAC6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1c(Cl)ncn(C(C)C)c1=O
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-4-10-7(9)6(3)8(11)12/h4-5H,1-3H3
InChIKeyHQDVWERVAIPASL-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.79
Rot. Bonds1

About 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one

6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 91452877) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one
PubChem CID91452877
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1c(Cl)ncn(C(C)C)c1=O
InChIInChI=1S/C8H11ClN2O/c1-5(2)11-4-10-7(9)6(3)8(11)12/h4-5H,1-3H3
InChIKeyHQDVWERVAIPASL-UHFFFAOYSA-N
XLogP1.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2,3,5-trimethylpyrimidin-4-one
CID 171351666
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927
6-Chloro-3,5-di(propan-2-yl)pyrimidin-4-one
CID 58567461
2-Chloro-5,6-dimethyl-3-propylpyrimidin-4-one
CID 91339897
6-Chloro-3-isopropylpyrimidin-4(3h)-one
CID 114582242
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
3-Ethyl-5,6-dimethylpyrimidin-4-one
CID 130630340
5,6-Dimethyl-3-propylpyrimidin-4-one
CID 131175563
5,6-Dimethyl-3-propan-2-ylpyrimidin-4-one
CID 166530387
6-Chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885723
5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
6-Chloro-5-iodo-3-pentan-2-ylpyrimidin-4-one
CID 107885732

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one (CID 91452877) is 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one is Cc1c(Cl)ncn(C(C)C)c1=O.
What is the InChIKey of 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is HQDVWERVAIPASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-5(2)11-4-10-7(9)6(3)8(11)12/h4-5H,1-3H3.
What are the key properties of 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one?
6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 186.64 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 91452877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).