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

C12H18N2O2 — CID 137199815

IUPAC2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-12(14-11(8)15)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVTOXKMJGEUCKFV-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.10
Rot. Bonds2

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

2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137199815) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137199815
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C12H18N2O2/c1-8-9(2)13-12(14-11(8)15)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVTOXKMJGEUCKFV-UHFFFAOYSA-N
XLogP2.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 135803823
CID 135803823
CID 135803829
CID 135803829
CID 135803831
CID 135803831
CID 176021523
CID 176021523
CID 137199814
CID 137199814

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one (CID 137199815) is 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(OC2CCCCC2)[nH]c(=O)c1C.
What is the InChIKey of 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is VTOXKMJGEUCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-9(2)13-12(14-11(8)15)16-10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one?
2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137199815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).