2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

C16H18N6O — CID 109252849

IUPAC2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-15(23)13-10-19-16(20-11-13)21-14-5-3-12(9-17)4-6-14/h3-6,10-11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyVCFMKGWGJXZTGL-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.38
Rot. Bonds6

About 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (PubChem CID 109252849) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
PubChem CID109252849
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
SMILESCN(C)CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-15(23)13-10-19-16(20-11-13)21-14-5-3-12(9-17)4-6-14/h3-6,10-11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyVCFMKGWGJXZTGL-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109252791
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109301402
2-(4-cyanoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259496
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154528
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109253432
N-tert-butyl-2-(4-cyanoanilino)pyrimidine-5-carboxamide
CID 109262951
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide (CID 109252849) is 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is CN(C)CCNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
The InChIKey is VCFMKGWGJXZTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22(2)8-7-18-15(23)13-10-19-16(20-11-13)21-14-5-3-12(9-17)4-6-14/h3-6,10-11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide?
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).