6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

C20H17N5O — CID 109356910

IUPAC6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3cccc(C#N)c3)ncn2)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-14(2)17(8-13)25-20(26)18-10-19(23-12-22-18)24-16-5-3-4-15(9-16)11-21/h3-10,12H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyLKLYSGHGGPNZTP-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.96
Rot. Bonds4

About 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide

6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356910) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356910
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cc(Nc3cccc(C#N)c3)ncn2)c1
InChIInChI=1S/C20H17N5O/c1-13-6-7-14(2)17(8-13)25-20(26)18-10-19(23-12-22-18)24-16-5-3-4-15(9-16)11-21/h3-10,12H,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyLKLYSGHGGPNZTP-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-(5-chloro-2-methylphenyl)-6-(3-cyanoanilino)pyrimidine-4-carboxamide
CID 109358414
6-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357156
N-(2,5-dimethylphenyl)-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109356901
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
6-(4-acetamidoanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109359458
6-(2,6-difluoroanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356913
6-(3-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359085
N-(2,5-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109356887
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281
N-(4-cyanophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356788
6-(3-cyanoanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354614

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356910) is 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cc(Nc3cccc(C#N)c3)ncn2)c1.
What is the InChIKey of 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LKLYSGHGGPNZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-6-7-14(2)17(8-13)25-20(26)18-10-19(23-12-22-18)24-16-5-3-4-15(9-16)11-21/h3-10,12H,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide?
6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)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 6-(3-cyanoanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).