4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile

C20H25N5O — CID 143039366

IUPAC4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
SMILESCc1ccc(O)c(-c2nc(N)c(C#N)c(C3CCCC(N(C)C)C3)n2)c1
InChIInChI=1S/C20H25N5O/c1-12-7-8-17(26)15(9-12)20-23-18(16(11-21)19(22)24-20)13-5-4-6-14(10-13)25(2)3/h7-9,13-14,26H,4-6,10H2,1-3H3,(H2,22,23,24)
InChIKeyIXRDKTIQJLCALL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.20
Rot. Bonds3

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

4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile (PubChem CID 143039366) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
PubChem CID143039366
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile
SMILESCc1ccc(O)c(-c2nc(N)c(C#N)c(C3CCCC(N(C)C)C3)n2)c1
InChIInChI=1S/C20H25N5O/c1-12-7-8-17(26)15(9-12)20-23-18(16(11-21)19(22)24-20)13-5-4-6-14(10-13)25(2)3/h7-9,13-14,26H,4-6,10H2,1-3H3,(H2,22,23,24)
InChIKeyIXRDKTIQJLCALL-UHFFFAOYSA-N
XLogP3.20
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 136610224
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-(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
4-amino-2-(5-fluoro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 143039304
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)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039281
4-amino-6-(4-aminocyclohexyl)-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039319
4-amino-2-(2-hydroxyphenyl)-6-[3-(methylaminomethyl)cyclopentyl]pyrimidine-5-carbonitrile
CID 143039402
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438
4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039463

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile (CID 143039366) is 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile is Cc1ccc(O)c(-c2nc(N)c(C#N)c(C3CCCC(N(C)C)C3)n2)c1.
What is the InChIKey of 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile?
The InChIKey is IXRDKTIQJLCALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-12-7-8-17(26)15(9-12)20-23-18(16(11-21)19(22)24-20)13-5-4-6-14(10-13)25(2)3/h7-9,13-14,26H,4-6,10H2,1-3H3,(H2,22,23,24).
What are the key properties of 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile?
4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile has a molecular weight of 351.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[3-(dimethylamino)cyclohexyl]-2-(2-hydroxy-5-methylphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 143039366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).