4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

C16H10ClF3N4O — CID 10109502

IUPAC4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESOc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H10ClF3N4O/c17-11-2-1-10(25)7-12(11)22-14-8-13(16(18,19)20)23-15(24-14)9-3-5-21-6-4-9/h1-8,25H,(H,22,23,24)
InChIKeyYRRJWQJFPYNRJW-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.66
Rot. Bonds3

About 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (PubChem CID 10109502) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
PubChem CID10109502
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC Name4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESOc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C16H10ClF3N4O/c17-11-2-1-10(25)7-12(11)22-14-8-13(16(18,19)20)23-15(24-14)9-3-5-21-6-4-9/h1-8,25H,(H,22,23,24)
InChIKeyYRRJWQJFPYNRJW-UHFFFAOYSA-N
XLogP4.66
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
Bisanilinopyrimidine, 12c
CID 136226786
4-(5-Hydroxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9924317
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(2-Chloro-5-methoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10177828
3-[[2-Pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 21304984
N2,N4-bis(3-hydroxyphenyl)-5-trifluoromethyl-2,4-pyrimidinediamine
CID 22060878
4-(5-Hydroxy-2-methylanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 22732348
4-(2-Chloro-5-hydroxyanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 22732390
4-(5-Hydroxy-2-methylanilino)-2-(2-pyrazinyl)-6-trifluoromethylpyrimidine
CID 22732487
3-[[2-Pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 22732508
4-Chloro-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 22732527

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (CID 10109502) is 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is Oc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The InChIKey is YRRJWQJFPYNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-11-2-1-10(25)7-12(11)22-14-8-13(16(18,19)20)23-15(24-14)9-3-5-21-6-4-9/h1-8,25H,(H,22,23,24).
What are the key properties of 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol has a molecular weight of 366.73 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 10109502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).