7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H15N3 — CID 82542217

IUPAC7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C14H15N3/c15-14-3-1-2-10-4-5-11(6-13(10)14)12-7-16-9-17-8-12/h4-9,14H,1-3,15H2
InChIKeyLBEVOMRJGXXNHL-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.48
Rot. Bonds1

About 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine

7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82542217) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82542217
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1CCCc2ccc(-c3cncnc3)cc21
InChIInChI=1S/C14H15N3/c15-14-3-1-2-10-4-5-11(6-13(10)14)12-7-16-9-17-8-12/h4-9,14H,1-3,15H2
InChIKeyLBEVOMRJGXXNHL-UHFFFAOYSA-N
XLogP2.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-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 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82542217) is 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine is NC1CCCc2ccc(-c3cncnc3)cc21.
What is the InChIKey of 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LBEVOMRJGXXNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-14-3-1-2-10-4-5-11(6-13(10)14)12-7-16-9-17-8-12/h4-9,14H,1-3,15H2.
What are the key properties of 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 225.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82542217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).