5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

C11H16ClN3 — CID 103318047

IUPAC5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCc1ccc(C2CN=C(N)NC2)cc1.Cl
InChIInChI=1S/C11H15N3.ClH/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;/h2-5,10H,6-7H2,1H3,(H3,12,13,14);1H
InChIKeyUAAQLDPDTJQCFG-UHFFFAOYSA-N
MW225.72 g/mol
LogP1.42
Rot. Bonds1

About 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (PubChem CID 103318047) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
PubChem CID103318047
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCc1ccc(C2CN=C(N)NC2)cc1.Cl
InChIInChI=1S/C11H15N3.ClH/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;/h2-5,10H,6-7H2,1H3,(H3,12,13,14);1H
InChIKeyUAAQLDPDTJQCFG-UHFFFAOYSA-N
XLogP1.42
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride 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 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (CID 103318047) is 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is Cc1ccc(C2CN=C(N)NC2)cc1.Cl.
What is the InChIKey of 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The InChIKey is UAAQLDPDTJQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.ClH/c1-8-2-4-9(5-3-8)10-6-13-11(12)14-7-10;/h2-5,10H,6-7H2,1H3,(H3,12,13,14);1H.
What are the key properties of 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 103318047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).