N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

C22H21N5O2 — CID 109372201

IUPACN-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-25-20(22(28)27-19-6-4-3-5-17(19)14-23)13-21(26-15)24-12-11-16-7-9-18(29-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyNVIKYSTVYIPWLB-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.57
Rot. Bonds7

About N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109372201) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109372201
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(CCNc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)cc1
InChIInChI=1S/C22H21N5O2/c1-15-25-20(22(28)27-19-6-4-3-5-17(19)14-23)13-21(26-15)24-12-11-16-7-9-18(29-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyNVIKYSTVYIPWLB-UHFFFAOYSA-N
XLogP3.57
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372182
N-(2,6-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372186
N-(2-cyanophenyl)-6-(2,4-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850745
N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
N-(2-cyanophenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848947
2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370402

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide (CID 109372201) is N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is COc1ccc(CCNc2cc(C(=O)Nc3ccccc3C#N)nc(C)n2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is NVIKYSTVYIPWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-25-20(22(28)27-19-6-4-3-5-17(19)14-23)13-21(26-15)24-12-11-16-7-9-18(29-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109372201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).