2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide

C23H23N5O — CID 109336643

IUPAC2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C23H23N5O/c1-4-17-9-7-10-18(5-2)21(17)28-22(29)20-12-15(3)25-23(27-20)26-19-11-6-8-16(13-19)14-24/h6-13H,4-5H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeySATURINJVSPKNC-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.78
Rot. Bonds6

About 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336643) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109336643
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C23H23N5O/c1-4-17-9-7-10-18(5-2)21(17)28-22(29)20-12-15(3)25-23(27-20)26-19-11-6-8-16(13-19)14-24/h6-13H,4-5H2,1-3H3,(H,28,29)(H,25,26,27)
InChIKeySATURINJVSPKNC-UHFFFAOYSA-N
XLogP4.78
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337603
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
5-(3-cyanoanilino)-N-(2,6-diethylphenyl)pyrazine-2-carboxamide
CID 109292172
2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334286
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109336643) is 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(C)nc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is SATURINJVSPKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-4-17-9-7-10-18(5-2)21(17)28-22(29)20-12-15(3)25-23(27-20)26-19-11-6-8-16(13-19)14-24/h6-13H,4-5H2,1-3H3,(H,28,29)(H,25,26,27).
What are the key properties of 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).