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

C10H15N3 — CID 63549792

IUPACN-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESCNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C10H15N3/c1-11-10-12-7-8-5-3-2-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyYLRMGLAJTKPVLO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.79
Rot. Bonds1

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

N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (PubChem CID 63549792) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
PubChem CID63549792
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESCNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C10H15N3/c1-11-10-12-7-8-5-3-2-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyYLRMGLAJTKPVLO-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The IUPAC name of N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (CID 63549792) is N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is CNc1ncc2c(n1)CCCCC2.
What is the InChIKey of N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The InChIKey is YLRMGLAJTKPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-11-10-12-7-8-5-3-2-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine has a molecular weight of 177.25 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is sourced from PubChem (CID 63549792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).