6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C16H11F3N4O — CID 11381980

IUPAC6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)ncn2)cc1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)24-13-3-1-12(2-4-13)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23)
InChIKeyQTSVCLAUIGSDSU-UHFFFAOYSA-N
MW332.29 g/mol
LogP4.18
Rot. Bonds4

About 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 11381980) has the molecular formula C16H11F3N4O and a molecular weight of 332.29 g/mol. Its IUPAC name is 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID11381980
Molecular FormulaC16H11F3N4O
Molecular Weight332.29 g/mol
Exact Mass332.09
IUPAC Name6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)ncn2)cc1
InChIInChI=1S/C16H11F3N4O/c17-16(18,19)24-13-3-1-12(2-4-13)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23)
InChIKeyQTSVCLAUIGSDSU-UHFFFAOYSA-N
XLogP4.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 11381980) is 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is FC(F)(F)Oc1ccc(Nc2cc(-c3ccncc3)ncn2)cc1.
What is the InChIKey of 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is QTSVCLAUIGSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O/c17-16(18,19)24-13-3-1-12(2-4-13)23-15-9-14(21-10-22-15)11-5-7-20-8-6-11/h1-10H,(H,21,22,23).
What are the key properties of 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 332.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11381980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).