2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H17N5O2 — CID 109337478

IUPAC2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C20H17N5O2/c1-13-11-17(19(26)23-16-9-5-6-10-18(16)27-2)25-20(22-13)24-15-8-4-3-7-14(15)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGRMPCRSGDJNSAW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

About 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337478) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337478
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C20H17N5O2/c1-13-11-17(19(26)23-16-9-5-6-10-18(16)27-2)25-20(22-13)24-15-8-4-3-7-14(15)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGRMPCRSGDJNSAW-UHFFFAOYSA-N
XLogP3.66
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336942
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-[[2-(2-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112930539
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337478) is 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(C)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is GRMPCRSGDJNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-11-17(19(26)23-16-9-5-6-10-18(16)27-2)25-20(22-13)24-15-8-4-3-7-14(15)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).