2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C12H10F3N3 — CID 150949488

IUPAC2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-4-2-1-3-8(9)7-11-17-6-5-10(16)18-11/h1-6H,7H2,(H2,16,17,18)
InChIKeyLJUBTCPUMBZJNU-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.67
Rot. Bonds2

About 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 150949488) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID150949488
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESNc1ccnc(Cc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)9-4-2-1-3-8(9)7-11-17-6-5-10(16)18-11/h1-6H,7H2,(H2,16,17,18)
InChIKeyLJUBTCPUMBZJNU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
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]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 150949488) is 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is Nc1ccnc(Cc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is LJUBTCPUMBZJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)9-4-2-1-3-8(9)7-11-17-6-5-10(16)18-11/h1-6H,7H2,(H2,16,17,18).
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 253.23 g/mol, XLogP of 2.67, 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]methyl]pyrimidin-4-amine is sourced from PubChem (CID 150949488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).