5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C19H15F3N4O2 — CID 177283637

IUPAC5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C19H15F3N4O2/c1-9-2-7-12(27)8-13(9)15-14(23)16(17(24)28)26-18(25-15)10-3-5-11(6-4-10)19(20,21)22/h2-8,27H,23H2,1H3,(H2,24,28)
InChIKeyGIYSDMHFAWISPT-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.52
Rot. Bonds3

About 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 177283637) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID177283637
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N
InChIInChI=1S/C19H15F3N4O2/c1-9-2-7-12(27)8-13(9)15-14(23)16(17(24)28)26-18(25-15)10-3-5-11(6-4-10)19(20,21)22/h2-8,27H,23H2,1H3,(H2,24,28)
InChIKeyGIYSDMHFAWISPT-UHFFFAOYSA-N
XLogP3.52
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 177283637) is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is GIYSDMHFAWISPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-9-2-7-12(27)8-13(9)15-14(23)16(17(24)28)26-18(25-15)10-3-5-11(6-4-10)19(20,21)22/h2-8,27H,23H2,1H3,(H2,24,28).
What are the key properties of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 177283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).