N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

C19H17FN4O2 — CID 109336791

IUPACN-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C19H17FN4O2/c1-12-11-17(18(25)23-16-6-4-3-5-15(16)20)24-19(21-12)22-13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVIIHNEMDQMEJRW-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.93
Rot. Bonds5

About N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide

N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336791) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336791
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1
InChIInChI=1S/C19H17FN4O2/c1-12-11-17(18(25)23-16-6-4-3-5-15(16)20)24-19(21-12)22-13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVIIHNEMDQMEJRW-UHFFFAOYSA-N
XLogP3.93
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334548
N-(2,6-difluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337577
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-cyanoanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336829
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-fluorophenyl)benzamide
CID 99780272
2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109336791) is N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3ccccc3F)n2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VIIHNEMDQMEJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-11-17(18(25)23-16-6-4-3-5-15(16)20)24-19(21-12)22-13-7-9-14(26-2)10-8-13/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).