1-(4-methylheptan-2-yl)pyrimidin-2-one

C12H20N2O — CID 19989300

IUPAC1-(4-methylheptan-2-yl)pyrimidin-2-one
SMILESCCCC(C)CC(C)n1cccnc1=O
InChIInChI=1S/C12H20N2O/c1-4-6-10(2)9-11(3)14-8-5-7-13-12(14)15/h5,7-8,10-11H,4,6,9H2,1-3H3
InChIKeySSJIEPBMGMIWNW-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.63
Rot. Bonds5

About 1-(4-methylheptan-2-yl)pyrimidin-2-one

1-(4-methylheptan-2-yl)pyrimidin-2-one (PubChem CID 19989300) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(4-methylheptan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(4-methylheptan-2-yl)pyrimidin-2-one
PubChem CID19989300
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(4-methylheptan-2-yl)pyrimidin-2-one
SMILESCCCC(C)CC(C)n1cccnc1=O
InChIInChI=1S/C12H20N2O/c1-4-6-10(2)9-11(3)14-8-5-7-13-12(14)15/h5,7-8,10-11H,4,6,9H2,1-3H3
InChIKeySSJIEPBMGMIWNW-UHFFFAOYSA-N
XLogP2.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylheptan-2-yl)pyrimidin-2-one?
The IUPAC name of 1-(4-methylheptan-2-yl)pyrimidin-2-one (CID 19989300) is 1-(4-methylheptan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(4-methylheptan-2-yl)pyrimidin-2-one?
The canonical SMILES for 1-(4-methylheptan-2-yl)pyrimidin-2-one is CCCC(C)CC(C)n1cccnc1=O.
What is the InChIKey of 1-(4-methylheptan-2-yl)pyrimidin-2-one?
The InChIKey is SSJIEPBMGMIWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-6-10(2)9-11(3)14-8-5-7-13-12(14)15/h5,7-8,10-11H,4,6,9H2,1-3H3.
What are the key properties of 1-(4-methylheptan-2-yl)pyrimidin-2-one?
1-(4-methylheptan-2-yl)pyrimidin-2-one has a molecular weight of 208.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylheptan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 19989300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).