2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C22H22N6O — CID 505471

IUPAC2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2c(C)cc(C)cc2C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C22H22N6O/c1-13-9-14(2)20(15(3)10-13)27-19-11-18(21(29)24-4)26-22(28-19)25-17-7-5-16(12-23)6-8-17/h5-11H,1-4H3,(H,24,29)(H2,25,26,27,28)
InChIKeyARTCXLZDKUCJTR-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.12
Rot. Bonds5

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

2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 505471) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID505471
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2c(C)cc(C)cc2C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C22H22N6O/c1-13-9-14(2)20(15(3)10-13)27-19-11-18(21(29)24-4)26-22(28-19)25-17-7-5-16(12-23)6-8-17/h5-11H,1-4H3,(H,24,29)(H2,25,26,27,28)
InChIKeyARTCXLZDKUCJTR-UHFFFAOYSA-N
XLogP4.12
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520969
N-[4-cyano-2-(methylcarbamoyl)phenyl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548329
3-[4-[[4-(4-Cyano-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]-1-piperidyl]benzamide
CID 52943897
4-{4-[Butyl(ethyl)amino]-2-methyl-6-oxo-5,6,7,8-tetrahydropteridin-8-yl}-3-methylbenzonitrile
CID 24768341
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
3-Cyano-N-[4-(4-dimethylamino-quinazolin-2-ylamino)-cyclohexyl]-benzamide
CID 44390730
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3-methylbenzamide
CID 45485077
N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 147722603
N-(cyclopropylmethyl)-6-(diethylamino)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 148085953
N-(cyclopropylmethyl)-6-(dimethylamino)-2-[(3R)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 150475040

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 505471) is 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is CNC(=O)c1cc(Nc2c(C)cc(C)cc2C)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is ARTCXLZDKUCJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-9-14(2)20(15(3)10-13)27-19-11-18(21(29)24-4)26-22(28-19)25-17-7-5-16(12-23)6-8-17/h5-11H,1-4H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-methyl-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 505471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).