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

C19H13F2N5O — CID 109338197

IUPAC2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H13F2N5O/c1-11-8-16(18(27)26-17-14(20)6-3-7-15(17)21)25-19(23-11)24-13-5-2-4-12(9-13)10-22/h2-9H,1H3,(H,26,27)(H,23,24,25)
InChIKeyZBXIBMSLZRWGLH-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.93
Rot. Bonds4

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

2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109338197) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109338197
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(F)cccc2F)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C19H13F2N5O/c1-11-8-16(18(27)26-17-14(20)6-3-7-15(17)21)25-19(23-11)24-13-5-2-4-12(9-13)10-22/h2-9H,1H3,(H,26,27)(H,23,24,25)
InChIKeyZBXIBMSLZRWGLH-UHFFFAOYSA-N
XLogP3.93
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
2-(3-chloro-4-fluoroanilino)-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337349
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
2-(3-acetamidoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337862
2-(3-cyanoanilino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109337788
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)-N-(4-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336338
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
2-(4-cyanoanilino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336078
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109338197) is 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2c(F)cccc2F)nc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is ZBXIBMSLZRWGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c1-11-8-16(18(27)26-17-14(20)6-3-7-15(17)21)25-19(23-11)24-13-5-2-4-12(9-13)10-22/h2-9H,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 3.93, 4 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-difluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).