N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

C18H23N3 — CID 63486165

IUPACN-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2C)nc2c1CCCCC2
InChIInChI=1S/C18H23N3/c1-13-8-6-7-9-14(13)12-17-20-16-11-5-3-4-10-15(16)18(19-2)21-17/h6-9H,3-5,10-12H2,1-2H3,(H,19,20,21)
InChIKeyQYDOCUAOWFYOAS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.69
Rot. Bonds3

About N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (PubChem CID 63486165) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
PubChem CID63486165
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
SMILESCNc1nc(Cc2ccccc2C)nc2c1CCCCC2
InChIInChI=1S/C18H23N3/c1-13-8-6-7-9-14(13)12-17-20-16-11-5-3-4-10-15(16)18(19-2)21-17/h6-9H,3-5,10-12H2,1-2H3,(H,19,20,21)
InChIKeyQYDOCUAOWFYOAS-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66098036
2-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190657
N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351344
[2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 63351433
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586
2-[(3-fluorophenyl)methyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190601
2-[(2-chlorophenyl)methyl]-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190524
4-chloro-2-[(2-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350942
N-methyl-2-(propoxymethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351302
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
N-methyl-2-[(2-methylphenyl)sulfanylmethyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472306

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine (CID 63486165) is N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is CNc1nc(Cc2ccccc2C)nc2c1CCCCC2.
What is the InChIKey of N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
The InChIKey is QYDOCUAOWFYOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-8-6-7-9-14(13)12-17-20-16-11-5-3-4-10-15(16)18(19-2)21-17/h6-9H,3-5,10-12H2,1-2H3,(H,19,20,21).
What are the key properties of N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine?
N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine is sourced from PubChem (CID 63486165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).