4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

C19H14F3N5O — CID 143039279

IUPAC4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1-c1ccc(CN)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)12-5-6-15(28)13(7-12)18-26-16(14(9-24)17(25)27-18)11-3-1-10(8-23)2-4-11/h1-7,28H,8,23H2,(H2,25,26,27)
InChIKeyGJLNRQIPJRLJID-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.45
Rot. Bonds3

About 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile

4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 143039279) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID143039279
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1-c1ccc(CN)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)12-5-6-15(28)13(7-12)18-26-16(14(9-24)17(25)27-18)11-3-1-10(8-23)2-4-11/h1-7,28H,8,23H2,(H2,25,26,27)
InChIKeyGJLNRQIPJRLJID-UHFFFAOYSA-N
XLogP3.45
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039413
4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039319
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile
CID 143039417
4-amino-2-(2,5-dihydroxyphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039309
4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 153009999
4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039463
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylamino)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039263
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039268
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954
2,4-diamino-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]pyrimidine-5-carbonitrile
CID 169396454
2,4-diamino-6-[2-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 169396194
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (CID 143039279) is 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1-c1ccc(CN)cc1.
What is the InChIKey of 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is GJLNRQIPJRLJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)12-5-6-15(28)13(7-12)18-26-16(14(9-24)17(25)27-18)11-3-1-10(8-23)2-4-11/h1-7,28H,8,23H2,(H2,25,26,27).
What are the key properties of 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 385.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143039279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).