[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine

C12H10F3N3 — CID 46785114

IUPAC[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-1-3-9(10)11-17-6-5-8(7-16)18-11/h1-6H,7,16H2
InChIKeyYMNODTATNHQGTI-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.62
Rot. Bonds2

About [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine

[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine (PubChem CID 46785114) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
PubChem CID46785114
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
SMILESNCc1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-1-3-9(10)11-17-6-5-8(7-16)18-11/h1-6H,7,16H2
InChIKeyYMNODTATNHQGTI-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine (CID 46785114) is [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine is NCc1ccnc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine?
The InChIKey is YMNODTATNHQGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)10-4-2-1-3-9(10)11-17-6-5-8(7-16)18-11/h1-6H,7,16H2.
What are the key properties of [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine?
[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine has a molecular weight of 253.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 46785114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).