N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C13H13F3N4 — CID 1475719

IUPACN-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C13H13F3N4/c1-8(2)18-11-7-10(13(14,15)16)19-12(20-11)9-5-3-4-6-17-9/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFKRZWJJUNVFVGY-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.38
Rot. Bonds3

About N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 1475719) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID1475719
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC NameN-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C13H13F3N4/c1-8(2)18-11-7-10(13(14,15)16)19-12(20-11)9-5-3-4-6-17-9/h3-8H,1-2H3,(H,18,19,20)
InChIKeyFKRZWJJUNVFVGY-UHFFFAOYSA-N
XLogP3.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 1475719) is N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FKRZWJJUNVFVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-8(2)18-11-7-10(13(14,15)16)19-12(20-11)9-5-3-4-6-17-9/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 282.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 1475719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).