[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine

C14H17N3 — CID 116857558

IUPAC[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine
SMILESCc1cc(C)c(-c2cc(CN)ncn2)cc1C
InChIInChI=1S/C14H17N3/c1-9-4-11(3)13(5-10(9)2)14-6-12(7-15)16-8-17-14/h4-6,8H,7,15H2,1-3H3
InChIKeyOUSGYFRMHICABT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.53
Rot. Bonds2

About [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine

[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine (PubChem CID 116857558) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine
PubChem CID116857558
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine
SMILESCc1cc(C)c(-c2cc(CN)ncn2)cc1C
InChIInChI=1S/C14H17N3/c1-9-4-11(3)13(5-10(9)2)14-6-12(7-15)16-8-17-14/h4-6,8H,7,15H2,1-3H3
InChIKeyOUSGYFRMHICABT-UHFFFAOYSA-N
XLogP2.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine (CID 116857558) is [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine is Cc1cc(C)c(-c2cc(CN)ncn2)cc1C.
What is the InChIKey of [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine?
The InChIKey is OUSGYFRMHICABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-4-11(3)13(5-10(9)2)14-6-12(7-15)16-8-17-14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine?
[6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4,5-trimethylphenyl)pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116857558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).