4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile

C19H16ClN5O — CID 143039417

IUPAC4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(-c3cc(Cl)ccc3O)nc(N)c2C#N)cc1
InChIInChI=1S/C19H16ClN5O/c1-25(2)13-6-3-11(4-7-13)17-15(10-21)18(22)24-19(23-17)14-9-12(20)5-8-16(14)26/h3-9,26H,1-2H3,(H2,22,23,24)
InChIKeyIWIIDRQVSACUSN-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.69
Rot. Bonds3

About 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile

4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile (PubChem CID 143039417) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile
PubChem CID143039417
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(-c3cc(Cl)ccc3O)nc(N)c2C#N)cc1
InChIInChI=1S/C19H16ClN5O/c1-25(2)13-6-3-11(4-7-13)17-15(10-21)18(22)24-19(23-17)14-9-12(20)5-8-16(14)26/h3-9,26H,1-2H3,(H2,22,23,24)
InChIKeyIWIIDRQVSACUSN-UHFFFAOYSA-N
XLogP3.69
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-(aminomethyl)phenyl]-2-[2-hydroxy-5-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039279
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cyclohexyl]pyrimidine-5-carbonitrile
CID 143039438
4-amino-2-(2,5-dihydroxyphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039309
4-amino-2-(2-hydroxy-5-methylphenyl)-6-[3-(methylaminomethyl)phenyl]pyrimidine-5-carbonitrile
CID 143039463
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135487496
N-[6-amino-5-cyano-4-[4-(dimethylamino)phenyl]-2-pyridinyl]-2,5-dichlorobenzenesulfonamide
CID 102115812
4-amino-6-(2,4-dichlorophenyl)-2-phenylpyrimidine-5-carbonitrile
CID 15528298
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(methylaminomethyl)cycloheptyl]pyrimidine-5-carbonitrile
CID 143039281
6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 64983672
2,4-diamino-6-(3-bromo-4-hydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396130
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile (CID 143039417) is 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile is CN(C)c1ccc(-c2nc(-c3cc(Cl)ccc3O)nc(N)c2C#N)cc1.
What is the InChIKey of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile?
The InChIKey is IWIIDRQVSACUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-25(2)13-6-3-11(4-7-13)17-15(10-21)18(22)24-19(23-17)14-9-12(20)5-8-16(14)26/h3-9,26H,1-2H3,(H2,22,23,24).
What are the key properties of 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile?
4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile has a molecular weight of 365.82 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-chloro-2-hydroxyphenyl)-6-[4-(dimethylamino)phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 143039417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).