6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

C16H18N6O — CID 109344404

IUPAC6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-16(23)14-9-15(20-11-19-14)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRXAJWYZCXZTLFQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.38
Rot. Bonds6

About 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109344404) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109344404
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1
InChIInChI=1S/C16H18N6O/c1-22(2)8-7-18-16(23)14-9-15(20-11-19-14)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyRXAJWYZCXZTLFQ-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

6-(4-cyanoanilino)-N-propylpyrimidine-4-carboxamide
CID 109338626
6-(4-cyanoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109343097
6-(4-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354404
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109344922
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109359568
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109301402
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
6-(4-cyanoanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357075

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109344404) is 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1cc(Nc2ccc(C#N)cc2)ncn1.
What is the InChIKey of 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is RXAJWYZCXZTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22(2)8-7-18-16(23)14-9-15(20-11-19-14)21-13-5-3-12(10-17)4-6-13/h3-6,9,11H,7-8H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-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 6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).