6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one

C14H23ClN2O — CID 114201135

IUPAC6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)CC(C)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C14H23ClN2O/c1-9(2)6-11(5)8-17-13(18)7-12(15)16-14(17)10(3)4/h7,9-11H,6,8H2,1-5H3
InChIKeyQSIOXICBCIBCMB-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.70
Rot. Bonds5

About 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one

6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one (PubChem CID 114201135) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
PubChem CID114201135
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)CC(C)Cn1c(C(C)C)nc(Cl)cc1=O
InChIInChI=1S/C14H23ClN2O/c1-9(2)6-11(5)8-17-13(18)7-12(15)16-14(17)10(3)4/h7,9-11H,6,8H2,1-5H3
InChIKeyQSIOXICBCIBCMB-UHFFFAOYSA-N
XLogP3.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-propan-2-yl-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 113604603
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-ethylpyrimidin-4-one
CID 114224999
6-Chloro-3-[(3,3-difluorocyclopentyl)methyl]-2-propan-2-ylpyrimidin-4-one
CID 114225000
6-Chloro-3-(2-fluoroethyl)-2-propan-2-ylpyrimidin-4-one
CID 114585003
6-Chloro-3-(3-fluoropropyl)-2-propan-2-ylpyrimidin-4-one
CID 114585057
2,3-dibutyl-6-[(E)-1-chloroprop-1-enyl]sulfanylpyrimidin-4-one
CID 89329672
6-Chloro-2,3-diethylpyrimidin-4-one
CID 114584343
6-Chloro-3-(2-oxopropyl)-2-pentylpyrimidin-4-one
CID 129197975
6-Hydroxy-2,3-bis(3-methylbutyl)pyrimidin-4-one
CID 136364329
3,6-Dimethyl-2-pentan-2-ylpyrimidin-4-one
CID 163585409
2-Amino-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875162
2-Amino-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875164

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one (CID 114201135) is 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one is CC(C)CC(C)Cn1c(C(C)C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one?
The InChIKey is QSIOXICBCIBCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-9(2)6-11(5)8-17-13(18)7-12(15)16-14(17)10(3)4/h7,9-11H,6,8H2,1-5H3.
What are the key properties of 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one?
6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one has a molecular weight of 270.80 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dimethylpentyl)-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 114201135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).