5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

C12H18N2O — CID 135418972

IUPAC5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H18N2O/c1-3-4-5-10-8(2)13-11(9-6-7-9)14-12(10)15/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyJWELNDOGXWTMGY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.30
Rot. Bonds4

About 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one

5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135418972) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135418972
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one
SMILESCCCCc1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C12H18N2O/c1-3-4-5-10-8(2)13-11(9-6-7-9)14-12(10)15/h9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyJWELNDOGXWTMGY-UHFFFAOYSA-N
XLogP2.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one (CID 135418972) is 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is CCCCc1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JWELNDOGXWTMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-4-5-10-8(2)13-11(9-6-7-9)14-12(10)15/h9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one?
5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-cyclopropyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).