4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile

C20H19N5O — CID 143039463

IUPAC4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
SMILESCNCc1cccc(-c2nc(-c3cc(C)ccc3O)nc(N)c2C#N)c1
InChIInChI=1S/C20H19N5O/c1-12-6-7-17(26)15(8-12)20-24-18(16(10-21)19(22)25-20)14-5-3-4-13(9-14)11-23-2/h3-9,23,26H,11H2,1-2H3,(H2,22,24,25)
InChIKeyOFPKIPWEBYQACI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile

4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile (PubChem CID 143039463) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
PubChem CID143039463
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
SMILESCNCc1cccc(-c2nc(-c3cc(C)ccc3O)nc(N)c2C#N)c1
InChIInChI=1S/C20H19N5O/c1-12-6-7-17(26)15(8-12)20-24-18(16(10-21)19(22)25-20)14-5-3-4-13(9-14)11-23-2/h3-9,23,26H,11H2,1-2H3,(H2,22,24,25)
InChIKeyOFPKIPWEBYQACI-UHFFFAOYSA-N
XLogP3.00
TPSA107.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(2,5-dihydroxyphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039309
4-amino-2-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-[4-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039413
4-amino-6-[4-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039279
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile
CID 143039417
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
4-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 91166136
4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
CID 143039366
4-methyl-2-(3-propylphenyl)phenol
CID 116546527
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438
2-amino-6-(3-chlorophenyl)-4-(2,4-dimethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3326015
methyl 3-[3-(2,6-diamino-5-cyanopyrimidin-4-yl)phenyl]benzoate
CID 169398246
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile (CID 143039463) is 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile is CNCc1cccc(-c2nc(-c3cc(C)ccc3O)nc(N)c2C#N)c1.
What is the InChIKey of 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is OFPKIPWEBYQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-6-7-17(26)15(8-12)20-24-18(16(10-21)19(22)25-20)14-5-3-4-13(9-14)11-23-2/h3-9,23,26H,11H2,1-2H3,(H2,22,24,25).
What are the key properties of 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile?
4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 345.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143039463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).