N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide

C20H17N5O — CID 109357114

IUPACN-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C20H17N5O/c1-13-6-5-7-14(2)19(13)25-18-10-17(22-12-23-18)20(26)24-16-9-4-3-8-15(16)11-21/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyHWTRESOEYQZOLO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357114) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
PubChem CID109357114
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C20H17N5O/c1-13-6-5-7-14(2)19(13)25-18-10-17(22-12-23-18)20(26)24-16-9-4-3-8-15(16)11-21/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyHWTRESOEYQZOLO-UHFFFAOYSA-N
XLogP3.96
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
6-(2-cyanoanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109356188
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344223
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide (CID 109357114) is N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide is Cc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2C#N)ncn1.
What is the InChIKey of N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is HWTRESOEYQZOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-5-7-14(2)19(13)25-18-10-17(22-12-23-18)20(26)24-16-9-4-3-8-15(16)11-21/h3-10,12H,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).