2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride

C14H18ClN3 — CID 82022820

IUPAC2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(C)cc(CCN)n2)cc1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-10-3-5-12(6-4-10)14-16-11(2)9-13(17-14)7-8-15;/h3-6,9H,7-8,15H2,1-2H3;1H
InChIKeyROOHPOJHASBQDU-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.68
Rot. Bonds3

About 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride

2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride (PubChem CID 82022820) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
PubChem CID82022820
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
SMILESCc1ccc(-c2nc(C)cc(CCN)n2)cc1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-10-3-5-12(6-4-10)14-16-11(2)9-13(17-14)7-8-15;/h3-6,9H,7-8,15H2,1-2H3;1H
InChIKeyROOHPOJHASBQDU-UHFFFAOYSA-N
XLogP2.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride (CID 82022820) is 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride is Cc1ccc(-c2nc(C)cc(CCN)n2)cc1.Cl.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride?
The InChIKey is ROOHPOJHASBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-10-3-5-12(6-4-10)14-16-11(2)9-13(17-14)7-8-15;/h3-6,9H,7-8,15H2,1-2H3;1H.
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride?
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 82022820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).