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

C9H13N3 — CID 63547880

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H13N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2,(H2,10,11,12)
InChIKeyWRTPXRVXSLDXBJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.33
Rot. Bonds

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

6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (PubChem CID 63547880) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
PubChem CID63547880
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCCCC2
InChIInChI=1S/C9H13N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2,(H2,10,11,12)
InChIKeyWRTPXRVXSLDXBJ-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine (CID 63547880) is 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is Nc1ncc2c(n1)CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
The InChIKey is WRTPXRVXSLDXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-9-11-6-7-4-2-1-3-5-8(7)12-9/h6H,1-5H2,(H2,10,11,12).
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine?
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine is sourced from PubChem (CID 63547880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).