1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol

C19H17F3N4O — CID 118093033

IUPAC1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)O)nc2)c1
InChIInChI=1S/C19H17F3N4O/c1-11-7-14(13-3-4-16(12(2)27)24-10-13)9-15(8-11)25-18-23-6-5-17(26-18)19(20,21)22/h3-10,12,27H,1-2H3,(H,23,25,26)
InChIKeyKVQGEXQPSXHFIH-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.66
Rot. Bonds4

About 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol

1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol (PubChem CID 118093033) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol
PubChem CID118093033
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)O)nc2)c1
InChIInChI=1S/C19H17F3N4O/c1-11-7-14(13-3-4-16(12(2)27)24-10-13)9-15(8-11)25-18-23-6-5-17(26-18)19(20,21)22/h3-10,12,27H,1-2H3,(H,23,25,26)
InChIKeyKVQGEXQPSXHFIH-UHFFFAOYSA-N
XLogP4.66
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol (CID 118093033) is 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(C(C)O)nc2)c1.
What is the InChIKey of 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol?
The InChIKey is KVQGEXQPSXHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11-7-14(13-3-4-16(12(2)27)24-10-13)9-15(8-11)25-18-23-6-5-17(26-18)19(20,21)22/h3-10,12,27H,1-2H3,(H,23,25,26).
What are the key properties of 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol?
1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol has a molecular weight of 374.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 118093033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).