(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride

C7H12ClN3 — CID 53396520

IUPAC(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
SMILESCc1cc(C)nc(CN)n1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-5-3-6(2)10-7(4-8)9-5;/h3H,4,8H2,1-2H3;1H
InChIKeyMVIVLYQLBOJROP-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.97
Rot. Bonds1

About (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride

(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride (PubChem CID 53396520) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
PubChem CID53396520
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride
SMILESCc1cc(C)nc(CN)n1.Cl
InChIInChI=1S/C7H11N3.ClH/c1-5-3-6(2)10-7(4-8)9-5;/h3H,4,8H2,1-2H3;1H
InChIKeyMVIVLYQLBOJROP-UHFFFAOYSA-N
XLogP0.97
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,6-dimethylpyrimidin-2-yl)methanamine;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 (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The IUPAC name of (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride (CID 53396520) is (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The canonical SMILES for (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride is Cc1cc(C)nc(CN)n1.Cl.
What is the InChIKey of (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
The InChIKey is MVIVLYQLBOJROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-5-3-6(2)10-7(4-8)9-5;/h3H,4,8H2,1-2H3;1H.
What are the key properties of (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride?
(4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 53396520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).