N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H22N4 — CID 56743418

IUPACN-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1C(Nc1ncnc2c1CCNC2)c1ccccc1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)20(16-8-3-2-4-9-16)25-21-18-11-12-22-13-19(18)23-14-24-21/h2-10,14,20,22H,11-13H2,1H3,(H,23,24,25)
InChIKeyOUPJOHKULSBRNY-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.63
Rot. Bonds4

About N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56743418) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56743418
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1C(Nc1ncnc2c1CCNC2)c1ccccc1
InChIInChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)20(16-8-3-2-4-9-16)25-21-18-11-12-22-13-19(18)23-14-24-21/h2-10,14,20,22H,11-13H2,1H3,(H,23,24,25)
InChIKeyOUPJOHKULSBRNY-UHFFFAOYSA-N
XLogP3.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-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-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56743418) is N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is Cc1ccccc1C(Nc1ncnc2c1CCNC2)c1ccccc1.
What is the InChIKey of N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is OUPJOHKULSBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-15-7-5-6-10-17(15)20(16-8-3-2-4-9-16)25-21-18-11-12-22-13-19(18)23-14-24-21/h2-10,14,20,22H,11-13H2,1H3,(H,23,24,25).
What are the key properties of N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-phenylmethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56743418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).