6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C21H19N5O2 — CID 109370485

IUPAC6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-24-19(21(27)23-13-15-7-9-17(28-2)10-8-15)11-20(25-14)26-18-6-4-3-5-16(18)12-22/h3-11H,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyLFDBLBHPCGTULT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.34
Rot. Bonds6

About 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370485) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109370485
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-14-24-19(21(27)23-13-15-7-9-17(28-2)10-8-15)11-20(25-14)26-18-6-4-3-5-16(18)12-22/h3-11H,13H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyLFDBLBHPCGTULT-UHFFFAOYSA-N
XLogP3.34
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109370459
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(3,4-dimethylanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370451
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-(2,5-dimethoxyanilino)-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371405
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-(3-methoxyanilino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369092

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109370485) is 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(Nc3ccccc3C#N)nc(C)n2)cc1.
What is the InChIKey of 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is LFDBLBHPCGTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-24-19(21(27)23-13-15-7-9-17(28-2)10-8-15)11-20(25-14)26-18-6-4-3-5-16(18)12-22/h3-11H,13H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).