5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C19H14F4N4O2 — CID 177283549

IUPAC5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C19H14F4N4O2/c1-8-2-3-12(28)7-13(8)15-14(24)16(17(25)29)27-18(26-15)9-4-10(19(21,22)23)6-11(20)5-9/h2-7,28H,24H2,1H3,(H2,25,29)
InChIKeyWOHPSUQHZWSLNB-UHFFFAOYSA-N
MW406.34 g/mol
LogP3.66
Rot. Bonds3

About 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283549) has the molecular formula C19H14F4N4O2 and a molecular weight of 406.34 g/mol. Its IUPAC name is 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID177283549
Molecular FormulaC19H14F4N4O2
Molecular Weight406.34 g/mol
Exact Mass406.11
IUPAC Name5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C19H14F4N4O2/c1-8-2-3-12(28)7-13(8)15-14(24)16(17(25)29)27-18(26-15)9-4-10(19(21,22)23)6-11(20)5-9/h2-7,28H,24H2,1H3,(H2,25,29)
InChIKeyWOHPSUQHZWSLNB-UHFFFAOYSA-N
XLogP3.66
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-6-(3,5-difluorophenyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346535
5-Amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 170346746
5-Amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283560
5-Amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283575
5-Amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283593
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 177283637
9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599484
9-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24936724
5-Amino-2-[2-(2,2-difluoroethylamino)-5-fluoro-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 170346611
5-Amino-2-(4,4-difluorocyclohexen-1-yl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346615
5-Amino-2-(4,4-difluorocyclohexyl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346788
5-Amino-2-[5-fluoro-2-[(3-fluoro-6-methyl-2-pyridinyl)amino]-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 175958735

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 177283549) is 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is WOHPSUQHZWSLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O2/c1-8-2-3-12(28)7-13(8)15-14(24)16(17(25)29)27-18(26-15)9-4-10(19(21,22)23)6-11(20)5-9/h2-7,28H,24H2,1H3,(H2,25,29).
What are the key properties of 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 406.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).