6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one

C10H15ClN2O — CID 114581812

IUPAC6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC(C)C
InChIInChI=1S/C10H15ClN2O/c1-7(2)4-5-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyCCEIXODVFWJDLE-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.25
Rot. Bonds3

About 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one

6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one (PubChem CID 114581812) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
PubChem CID114581812
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC(C)C
InChIInChI=1S/C10H15ClN2O/c1-7(2)4-5-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyCCEIXODVFWJDLE-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one (CID 114581812) is 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCC(C)C.
What is the InChIKey of 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
The InChIKey is CCEIXODVFWJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-7(2)4-5-13-8(3)12-9(11)6-10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one?
6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one has a molecular weight of 214.70 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 114581812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).