4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile

C19H22FN5O — CID 136610224

IUPAC4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
SMILESCNCC1CCCC(c2nc(-c3cc(F)ccc3O)nc(N)c2C#N)C1
InChIInChI=1S/C19H22FN5O/c1-23-10-11-3-2-4-12(7-11)17-15(9-21)18(22)25-19(24-17)14-8-13(20)5-6-16(14)26/h5-6,8,11-12,23,26H,2-4,7,10H2,1H3,(H2,22,24,25)
InChIKeyYWJLJEJPOLMIGJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.94
Rot. Bonds4

About 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile

4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile (PubChem CID 136610224) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
PubChem CID136610224
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
SMILESCNCC1CCCC(c2nc(-c3cc(F)ccc3O)nc(N)c2C#N)C1
InChIInChI=1S/C19H22FN5O/c1-23-10-11-3-2-4-12(7-11)17-15(9-21)18(22)25-19(24-17)14-8-13(20)5-6-16(14)26/h5-6,8,11-12,23,26H,2-4,7,10H2,1H3,(H2,22,24,25)
InChIKeyYWJLJEJPOLMIGJ-UHFFFAOYSA-N
XLogP2.94
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039274
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039281
4-amino-2-(2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclopentyl]pyrimidine-5-carbonitrile
CID 143039402
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-2-(5-fluoro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 143039304
4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
CID 143039366
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylamino)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039263
4-amino-6-(4-aminocycloheptyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 153009999
4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039319
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135487496
4-amino-2-(2-hydroxyphenyl)-6-[1-(3-phenylpropyl)piperidin-3-yl]pyrimidine-5-carbonitrile;hydrochloride
CID 135461079

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile (CID 136610224) is 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile is CNCC1CCCC(c2nc(-c3cc(F)ccc3O)nc(N)c2C#N)C1.
What is the InChIKey of 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile?
The InChIKey is YWJLJEJPOLMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-23-10-11-3-2-4-12(7-11)17-15(9-21)18(22)25-19(24-17)14-8-13(20)5-6-16(14)26/h5-6,8,11-12,23,26H,2-4,7,10H2,1H3,(H2,22,24,25).
What are the key properties of 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile?
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile has a molecular weight of 355.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 136610224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).