N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide

C21H19N5O3 — CID 109337762

IUPACN-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)cc1OC
InChIInChI=1S/C21H19N5O3/c1-13-10-17(20(27)25-16-7-5-4-6-14(16)12-22)26-21(23-13)24-15-8-9-18(28-2)19(11-15)29-3/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyDXXFDBZBUFKFNO-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.67
Rot. Bonds6

About N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337762) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337762
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)cc1OC
InChIInChI=1S/C21H19N5O3/c1-13-10-17(20(27)25-16-7-5-4-6-14(16)12-22)26-21(23-13)24-15-8-9-18(28-2)19(11-15)29-3/h4-11H,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyDXXFDBZBUFKFNO-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

N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
2-(3,4-dimethoxyanilino)-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335782
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336942
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-(3,4-dimethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337761

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337762) is N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3C#N)n2)cc1OC.
What is the InChIKey of N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is DXXFDBZBUFKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13-10-17(20(27)25-16-7-5-4-6-14(16)12-22)26-21(23-13)24-15-8-9-18(28-2)19(11-15)29-3/h4-11H,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-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)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).