2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one

C17H24N2O2 — CID 107384687

IUPAC2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
SMILESCOC(c1ncc2c(n1)CCCCC2=O)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-21-16(12-7-3-2-4-8-12)17-18-11-13-14(19-17)9-5-6-10-15(13)20/h11-12,16H,2-10H2,1H3
InChIKeyCOGAQJCDNDKUMH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.65
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one

2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one (PubChem CID 107384687) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
PubChem CID107384687
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
SMILESCOC(c1ncc2c(n1)CCCCC2=O)C1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-21-16(12-7-3-2-4-8-12)17-18-11-13-14(19-17)9-5-6-10-15(13)20/h11-12,16H,2-10H2,1H3
InChIKeyCOGAQJCDNDKUMH-UHFFFAOYSA-N
XLogP3.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384930
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
CID 116746300
2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
CID 116777085
2-(1-ethoxyethyl)-7,8-dihydro-6H-quinazolin-5-one
CID 64533619
2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384722
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
CID 116779001
2-(3-methoxypropyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384699
2-[cyclohexyl(methoxy)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 116774220
2-(4-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62008663
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
CID 116705149
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one (CID 107384687) is 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one is COC(c1ncc2c(n1)CCCCC2=O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
The InChIKey is COGAQJCDNDKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16(12-7-3-2-4-8-12)17-18-11-13-14(19-17)9-5-6-10-15(13)20/h11-12,16H,2-10H2,1H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one?
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one has a molecular weight of 288.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one is sourced from PubChem (CID 107384687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).