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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Related Compounds

Zotiraciclib
CID 16739650
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-(Pyrimidin-2-yloxy)aniline
CID 1484610
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942

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).