2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one

C12H18N2O2 — CID 103240655

IUPAC2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2C)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)16-12-7-11(15)13-9(2)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCQRLSUDJRUSFLU-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.04
Rot. Bonds2

About 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one

2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240655) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240655
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCCCC2C)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)16-12-7-11(15)13-9(2)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyCQRLSUDJRUSFLU-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240415
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
4-heptoxy-2-methyl-1H-pyrimidin-6-one
CID 103240425
4-heptoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240429
2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240444
2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240445
2-propan-2-yl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240447
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-methyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240474
4-octoxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240655) is 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is Cc1nc(OC2CCCCC2C)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is CQRLSUDJRUSFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-5-3-4-6-10(8)16-12-7-11(15)13-9(2)14-12/h7-8,10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).