2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C17H27N3O — CID 107384930

IUPAC2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCOC(c1ncc2c(n1)CCCCC2N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-21-16(12-7-3-2-4-8-12)17-19-11-13-14(18)9-5-6-10-15(13)20-17/h11-12,14,16H,2-10,18H2,1H3
InChIKeySQQYLUVYNRNAGT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.47
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107384930) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107384930
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCOC(c1ncc2c(n1)CCCCC2N)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-21-16(12-7-3-2-4-8-12)17-19-11-13-14(18)9-5-6-10-15(13)20-17/h11-12,14,16H,2-10,18H2,1H3
InChIKeySQQYLUVYNRNAGT-UHFFFAOYSA-N
XLogP3.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384687
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
CID 116777085
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633134
2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384959
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
CID 116746300
2-(2,2-dimethylcyclopropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107925606
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
CID 116779001
2-N,2-N-diethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,5-diamine
CID 107384968
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
CID 116705149
2-[cyclopropyl(methoxy)methyl]-N,7,7-trimethyl-6,8-dihydro-5H-quinazolin-5-amine
CID 116728350

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107384930) is 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is COC(c1ncc2c(n1)CCCCC2N)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is SQQYLUVYNRNAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-21-16(12-7-3-2-4-8-12)17-19-11-13-14(18)9-5-6-10-15(13)20-17/h11-12,14,16H,2-10,18H2,1H3.
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 289.42 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 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-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107384930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).