N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

C16H18N6O — CID 109344223

IUPACN-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-15-9-14(19-11-20-15)16(23)21-13-6-4-3-5-12(13)10-17/h3-6,9,11H,7-8H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyIQUVIHZRWHIJJT-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.57
Rot. Bonds6

About N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide

N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (PubChem CID 109344223) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
PubChem CID109344223
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
SMILESCN(C)CCNc1cc(C(=O)Nc2ccccc2C#N)ncn1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-15-9-14(19-11-20-15)16(23)21-13-6-4-3-5-12(13)10-17/h3-6,9,11H,7-8H2,1-2H3,(H,21,23)(H,18,19,20)
InChIKeyIQUVIHZRWHIJJT-UHFFFAOYSA-N
XLogP1.57
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344224
N-(2-cyanophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357114
N-(2-cyanophenyl)-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109356261
6-(5-chloro-2-methylanilino)-N-(2-cyanophenyl)pyrimidine-4-carboxamide
CID 109358385
N-(4-acetylphenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109344178
N-(2-cyanophenyl)-6-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109359869
N-(2-cyanophenyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109359290
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
N-(2-cyanophenyl)-6-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109359804
6-[3-(dimethylamino)propylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109344830
N-(2-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325548
N-(2-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271145

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide (CID 109344223) is N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is CN(C)CCNc1cc(C(=O)Nc2ccccc2C#N)ncn1.
What is the InChIKey of N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
The InChIKey is IQUVIHZRWHIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22(2)8-7-18-15-9-14(19-11-20-15)16(23)21-13-6-4-3-5-12(13)10-17/h3-6,9,11H,7-8H2,1-2H3,(H,21,23)(H,18,19,20).
What are the key properties of N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide?
N-(2-cyanophenyl)-6-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.57, 6 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-(dimethylamino)ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).