[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine

C13H15N3 — CID 121206796

IUPAC[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCc1cccc(-c2cc(CN)nc(C)n2)c1
InChIInChI=1S/C13H15N3/c1-9-4-3-5-11(6-9)13-7-12(8-14)15-10(2)16-13/h3-7H,8,14H2,1-2H3
InChIKeyHVFPRDPQBDCFEZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.22
Rot. Bonds2

About [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine

[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 121206796) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
PubChem CID121206796
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
SMILESCc1cccc(-c2cc(CN)nc(C)n2)c1
InChIInChI=1S/C13H15N3/c1-9-4-3-5-11(6-9)13-7-12(8-14)15-10(2)16-13/h3-7H,8,14H2,1-2H3
InChIKeyHVFPRDPQBDCFEZ-UHFFFAOYSA-N
XLogP2.22
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine (CID 121206796) is [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine is Cc1cccc(-c2cc(CN)nc(C)n2)c1.
What is the InChIKey of [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is HVFPRDPQBDCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-4-3-5-11(6-9)13-7-12(8-14)15-10(2)16-13/h3-7H,8,14H2,1-2H3.
What are the key properties of [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine?
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 121206796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).