2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

C27H42N4O2 — CID 158058558

IUPAC2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CC2CC2)n(C)c1=O.CC(C)c1cnc(CC2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H24N2O.C12H18N2O/c1-11(2)13-10-16-14(17(3)15(13)18)9-12-7-5-4-6-8-12;1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h10-12H,4-9H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyFKJDOZMGRBNZBI-UHFFFAOYSA-N
MW454.66 g/mol
LogP4.88
Rot. Bonds6

About 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 158058558) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID158058558
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC Name2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CC2CC2)n(C)c1=O.CC(C)c1cnc(CC2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H24N2O.C12H18N2O/c1-11(2)13-10-16-14(17(3)15(13)18)9-12-7-5-4-6-8-12;1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h10-12H,4-9H2,1-3H3;7-9H,4-6H2,1-3H3
InChIKeyFKJDOZMGRBNZBI-UHFFFAOYSA-N
XLogP4.88
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58170184
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(2-Cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286828
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 159472338

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (CID 158058558) is 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cnc(CC2CC2)n(C)c1=O.CC(C)c1cnc(CC2CCCCC2)n(C)c1=O.
What is the InChIKey of 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is FKJDOZMGRBNZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C12H18N2O/c1-11(2)13-10-16-14(17(3)15(13)18)9-12-7-5-4-6-8-12;1-8(2)10-7-13-11(6-9-4-5-9)14(3)12(10)15/h10-12H,4-9H2,1-3H3;7-9H,4-6H2,1-3H3.
What are the key properties of 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 454.66 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 158058558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).