4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

C16H12F3N5O — CID 22732487

IUPAC4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cnccn2)n1
InChIInChI=1S/C16H12F3N5O/c1-9-2-3-10(25)6-11(9)22-14-7-13(16(17,18)19)23-15(24-14)12-8-20-4-5-21-12/h2-8,25H,1H3,(H,22,23,24)
InChIKeyDDAFEGVTPQQYPD-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.71
Rot. Bonds3

About 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol

4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (PubChem CID 22732487) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
PubChem CID22732487
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
SMILESCc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cnccn2)n1
InChIInChI=1S/C16H12F3N5O/c1-9-2-3-10(25)6-11(9)22-14-7-13(16(17,18)19)23-15(24-14)12-8-20-4-5-21-12/h2-8,25H,1H3,(H,22,23,24)
InChIKeyDDAFEGVTPQQYPD-UHFFFAOYSA-N
XLogP3.71
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983
2,4-Bisanilinopyrimidine, 32
CID 44224087
Phenol, 4-(2,4-diamino-6-pteridinyl)-
CID 135492341
4-(2,4-Diaminopteridin-7-yl)phenol
CID 135610084
6-[(5-Methoxy-2-methyl-anilino)methyl]pteridine-2,4-diamine
CID 457334
4-(5-Hydroxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9924317
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2-Chloro-5-hydroxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10109502
4-(5-Methoxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133127
N4-(quinolin-3-yl)-N2-(3-(trifluoromethoxy)phenyl)pyrimidine-2,4-diamine
CID 20826947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol (CID 22732487) is 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is Cc1ccc(O)cc1Nc1cc(C(F)(F)F)nc(-c2cnccn2)n1.
What is the InChIKey of 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
The InChIKey is DDAFEGVTPQQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-9-2-3-10(25)6-11(9)22-14-7-13(16(17,18)19)23-15(24-14)12-8-20-4-5-21-12/h2-8,25H,1H3,(H,22,23,24).
What are the key properties of 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol?
4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol has a molecular weight of 347.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-pyrazin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 22732487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).