6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide

C19H23N5O — CID 112847628

IUPAC6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19(25)17-12-18(22-14(3)21-17)23-16-9-7-6-8-15(16)13-20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGAOLIZZTSYFRAV-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.66
Rot. Bonds7

About 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide

6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 112847628) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID112847628
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccccc2C#N)nc(C)n1
InChIInChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19(25)17-12-18(22-14(3)21-17)23-16-9-7-6-8-15(16)13-20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23)
InChIKeyGAOLIZZTSYFRAV-UHFFFAOYSA-N
XLogP3.66
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-cyanoanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854264
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563
6-(2-cyanoanilino)-N-(3,5-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849147
6-(2-cyanoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848467
6-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370485
2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112875748
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537
N,N-diethyl-2-methyl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109373430
N-[4-[[6-(2-cyanoanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878813
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide (CID 112847628) is 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccccc2C#N)nc(C)n1.
What is the InChIKey of 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is GAOLIZZTSYFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-10-24(11-5-2)19(25)17-12-18(22-14(3)21-17)23-16-9-7-6-8-15(16)13-20/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide?
6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanoanilino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).