2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

C19H13Cl2N5O — CID 109338130

IUPAC2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)24-14-6-7-15(20)16(21)9-14)26-19(23-11)25-13-4-2-12(10-22)3-5-13/h2-9H,1H3,(H,24,27)(H,23,25,26)
InChIKeyPZHOAJFNZMQYMI-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.96
Rot. Bonds4

About 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide

2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109338130) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109338130
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)24-14-6-7-15(20)16(21)9-14)26-19(23-11)25-13-4-2-12(10-22)3-5-13/h2-9H,1H3,(H,24,27)(H,23,25,26)
InChIKeyPZHOAJFNZMQYMI-UHFFFAOYSA-N
XLogP4.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337316
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338146
2-(4-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336944
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
N-[(4-chlorophenyl)methyl]-2-(4-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109329082
N-(3,4-dichlorophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780178
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109338130) is 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PZHOAJFNZMQYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-11-8-17(18(27)24-14-6-7-15(20)16(21)9-14)26-19(23-11)25-13-4-2-12(10-22)3-5-13/h2-9H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(3,4-dichlorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).