2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H17N5O2 — CID 109337603

IUPAC2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-10-18(19(26)23-15-6-8-17(27-2)9-7-15)25-20(22-13)24-16-5-3-4-14(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyXTRTVDFTOZFWTE-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.66
Rot. Bonds5

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

2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337603) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337603
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3cccc(C#N)c3)n2)cc1
InChIInChI=1S/C20H17N5O2/c1-13-10-18(19(26)23-15-6-8-17(27-2)9-7-15)25-20(22-13)24-16-5-3-4-14(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyXTRTVDFTOZFWTE-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

2-(3-cyanoanilino)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-anilino-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334618
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
N-(3-cyanophenyl)-6-methyl-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109338205
N-(3-chloro-2-methylphenyl)-2-(3-cyanoanilino)-6-methylpyrimidine-4-carboxamide
CID 109337220

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337603) is 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(Nc3cccc(C#N)c3)n2)cc1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is XTRTVDFTOZFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13-10-18(19(26)23-15-6-8-17(27-2)9-7-15)25-20(22-13)24-16-5-3-4-14(11-16)12-21/h3-11H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-cyanoanilino)-N-(4-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-(3-cyanoanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).