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

C16H18N6O — CID 109301402

IUPAC2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N6O/c1-22(2)10-9-18-15(23)14-7-8-19-16(21-14)20-13-5-3-12(11-17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyYCTJDOJRYVQGFQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.38
Rot. Bonds6

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

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109301402) 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-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109301402
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H18N6O/c1-22(2)10-9-18-15(23)14-7-8-19-16(21-14)20-13-5-3-12(11-17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKeyYCTJDOJRYVQGFQ-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

2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109301975
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
2-(3-cyanoanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109311960
4-[[4-(4-methylbenzoyl)pyrimidin-2-yl]amino]benzonitrile
CID 46852805
N-(4-cyanophenyl)-2-(3,5-dichloroanilino)pyrimidine-4-carboxamide
CID 109318737
2-(butan-2-ylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109297091
2-(4-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109318827

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109301402) is 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is YCTJDOJRYVQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22(2)10-9-18-15(23)14-7-8-19-16(21-14)20-13-5-3-12(11-17)4-6-13/h3-8H,9-10H2,1-2H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
2-(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 2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109301402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).