4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one

C14H20N2O2 — CID 160764935

IUPAC4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one
SMILESCCc1c(OC)nc(C)nc1C1CCC(=O)CC1
InChIInChI=1S/C14H20N2O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-9(2)16-14(12)18-3/h10H,4-8H2,1-3H3
InChIKeyTUCQCEKZRSZRLX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.58
Rot. Bonds3

About 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one

4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one (PubChem CID 160764935) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one
PubChem CID160764935
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one
SMILESCCc1c(OC)nc(C)nc1C1CCC(=O)CC1
InChIInChI=1S/C14H20N2O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-9(2)16-14(12)18-3/h10H,4-8H2,1-3H3
InChIKeyTUCQCEKZRSZRLX-UHFFFAOYSA-N
XLogP2.58
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one?
The IUPAC name of 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one (CID 160764935) is 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one?
The canonical SMILES for 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one is CCc1c(OC)nc(C)nc1C1CCC(=O)CC1.
What is the InChIKey of 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one?
The InChIKey is TUCQCEKZRSZRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-12-13(10-5-7-11(17)8-6-10)15-9(2)16-14(12)18-3/h10H,4-8H2,1-3H3.
What are the key properties of 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one?
4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-6-methoxy-2-methylpyrimidin-4-yl)cyclohexan-1-one is sourced from PubChem (CID 160764935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).