2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one

C12H18N2O — CID 135996567

IUPAC2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O/c1-8-9(2)13-11(14-12(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGAZYRTKPVMNIIZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.43
Rot. Bonds1

About 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one

2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135996567) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135996567
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O/c1-8-9(2)13-11(14-12(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyGAZYRTKPVMNIIZ-UHFFFAOYSA-N
XLogP2.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one (CID 135996567) is 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(C2CCCCC2)[nH]c(=O)c1C.
What is the InChIKey of 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is GAZYRTKPVMNIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-9(2)13-11(14-12(8)15)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one?
2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135996567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).