[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

C12H8F6N4 — CID 122490195

IUPAC[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)(F)F)cn1
InChIInChI=1S/C12H8F6N4/c13-11(14,15)9-5-20-7(2-19)1-8(9)6-3-21-10(22-4-6)12(16,17)18/h1,3-5H,2,19H2
InChIKeyYLMQRCVNUQPDPH-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.03
Rot. Bonds2

About [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine

[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (PubChem CID 122490195) has the molecular formula C12H8F6N4 and a molecular weight of 322.21 g/mol. Its IUPAC name is [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
PubChem CID122490195
Molecular FormulaC12H8F6N4
Molecular Weight322.21 g/mol
Exact Mass322.07
IUPAC Name[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)(F)F)cn1
InChIInChI=1S/C12H8F6N4/c13-11(14,15)9-5-20-7(2-19)1-8(9)6-3-21-10(22-4-6)12(16,17)18/h1,3-5H,2,19H2
InChIKeyYLMQRCVNUQPDPH-UHFFFAOYSA-N
XLogP3.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine (CID 122490195) is [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2cnc(C(F)(F)F)nc2)c(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
The InChIKey is YLMQRCVNUQPDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6N4/c13-11(14,15)9-5-20-7(2-19)1-8(9)6-3-21-10(22-4-6)12(16,17)18/h1,3-5H,2,19H2.
What are the key properties of [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine?
[5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine has a molecular weight of 322.21 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 122490195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).