[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride

C14H18ClN3 — CID 82021867

IUPAC[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
SMILESCc1ccccc1-c1nc(C)c(CN)c(C)n1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-9-6-4-5-7-12(9)14-16-10(2)13(8-15)11(3)17-14;/h4-7H,8,15H2,1-3H3;1H
InChIKeyJADZCXNVZPPUJS-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.95
Rot. Bonds2

About [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride

[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride (PubChem CID 82021867) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
PubChem CID82021867
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
SMILESCc1ccccc1-c1nc(C)c(CN)c(C)n1.Cl
InChIInChI=1S/C14H17N3.ClH/c1-9-6-4-5-7-12(9)14-16-10(2)13(8-15)11(3)17-14;/h4-7H,8,15H2,1-3H3;1H
InChIKeyJADZCXNVZPPUJS-UHFFFAOYSA-N
XLogP2.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride?
The IUPAC name of [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride (CID 82021867) is [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride?
The canonical SMILES for [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride is Cc1ccccc1-c1nc(C)c(CN)c(C)n1.Cl.
What is the InChIKey of [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride?
The InChIKey is JADZCXNVZPPUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.ClH/c1-9-6-4-5-7-12(9)14-16-10(2)13(8-15)11(3)17-14;/h4-7H,8,15H2,1-3H3;1H.
What are the key properties of [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride?
[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 82021867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).