N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide

C21H19N5O3 — CID 112850745

IUPACN-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(OC)c1
InChIInChI=1S/C21H19N5O3/c1-13-23-18(21(27)26-16-7-5-4-6-14(16)12-22)11-20(24-13)25-17-9-8-15(28-2)10-19(17)29-3/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyBGXUXINECQUDLH-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.67
Rot. Bonds6

About N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850745) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850745
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(OC)c1
InChIInChI=1S/C21H19N5O3/c1-13-23-18(21(27)26-16-7-5-4-6-14(16)12-22)11-20(24-13)25-17-9-8-15(28-2)10-19(17)29-3/h4-11H,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyBGXUXINECQUDLH-UHFFFAOYSA-N
XLogP3.67
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849211
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
N-(2-cyanophenyl)-2-methyl-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 112850765
N-(2-cyanophenyl)-2-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 112849682
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
N-(2-cyanophenyl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848255
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(2-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164359
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112850745) is N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)c(OC)c1.
What is the InChIKey of N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is BGXUXINECQUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-23-18(21(27)26-16-7-5-4-6-14(16)12-22)11-20(24-13)25-17-9-8-15(28-2)10-19(17)29-3/h4-11H,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).