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

C18H18F3N5O — CID 143039319

IUPAC4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCC(N)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)10-3-6-14(27)12(7-10)17-25-15(13(8-22)16(24)26-17)9-1-4-11(23)5-2-9/h3,6-7,9,11,27H,1-2,4-5,23H2,(H2,24,25,26)
InChIKeyXBFNGLRGXHJIBL-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.31
Rot. Bonds2

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

4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 143039319) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID143039319
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCC(N)CC1
InChIInChI=1S/C18H18F3N5O/c19-18(20,21)10-3-6-14(27)12(7-10)17-25-15(13(8-22)16(24)26-17)9-1-4-11(23)5-2-9/h3,6-7,9,11,27H,1-2,4-5,23H2,(H2,24,25,26)
InChIKeyXBFNGLRGXHJIBL-UHFFFAOYSA-N
XLogP3.31
TPSA121.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 153009999
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
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438
4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039279
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 143039304
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039281
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039413
4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
CID 143039366
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 136610224
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039274
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135487496

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile (CID 143039319) is 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is N#Cc1c(N)nc(-c2cc(C(F)(F)F)ccc2O)nc1C1CCC(N)CC1.
What is the InChIKey of 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is XBFNGLRGXHJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-18(20,21)10-3-6-14(27)12(7-10)17-25-15(13(8-22)16(24)26-17)9-1-4-11(23)5-2-9/h3,6-7,9,11,27H,1-2,4-5,23H2,(H2,24,25,26).
What are the key properties of 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile?
4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 377.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143039319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).