(2-methylphenyl)-pyrimidin-2-ylmethanamine

C12H13N3 — CID 60820195

IUPAC(2-methylphenyl)-pyrimidin-2-ylmethanamine
SMILESCc1ccccc1C(N)c1ncccn1
InChIInChI=1S/C12H13N3/c1-9-5-2-3-6-10(9)11(13)12-14-7-4-8-15-12/h2-8,11H,13H2,1H3
InChIKeyWEYRHYYYSGKOKY-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.83
Rot. Bonds2

About (2-methylphenyl)-pyrimidin-2-ylmethanamine

(2-methylphenyl)-pyrimidin-2-ylmethanamine (PubChem CID 60820195) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is (2-methylphenyl)-pyrimidin-2-ylmethanamine.

Molecular Properties

Compound Name(2-methylphenyl)-pyrimidin-2-ylmethanamine
PubChem CID60820195
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name(2-methylphenyl)-pyrimidin-2-ylmethanamine
SMILESCc1ccccc1C(N)c1ncccn1
InChIInChI=1S/C12H13N3/c1-9-5-2-3-6-10(9)11(13)12-14-7-4-8-15-12/h2-8,11H,13H2,1H3
InChIKeyWEYRHYYYSGKOKY-UHFFFAOYSA-N
XLogP1.83
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-pyrimidin-2-ylmethanamine?
The IUPAC name of (2-methylphenyl)-pyrimidin-2-ylmethanamine (CID 60820195) is (2-methylphenyl)-pyrimidin-2-ylmethanamine.
What is the SMILES notation for (2-methylphenyl)-pyrimidin-2-ylmethanamine?
The canonical SMILES for (2-methylphenyl)-pyrimidin-2-ylmethanamine is Cc1ccccc1C(N)c1ncccn1.
What is the InChIKey of (2-methylphenyl)-pyrimidin-2-ylmethanamine?
The InChIKey is WEYRHYYYSGKOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-5-2-3-6-10(9)11(13)12-14-7-4-8-15-12/h2-8,11H,13H2,1H3.
What are the key properties of (2-methylphenyl)-pyrimidin-2-ylmethanamine?
(2-methylphenyl)-pyrimidin-2-ylmethanamine has a molecular weight of 199.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-pyrimidin-2-ylmethanamine is sourced from PubChem (CID 60820195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).