N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

C19H17FN4O2 — CID 109358003

IUPACN-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-12-3-8-17(26-2)15(9-12)24-18-10-16(21-11-22-18)19(25)23-14-6-4-13(20)5-7-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHENRROUKFAKOFX-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.93
Rot. Bonds5

About N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109358003) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
PubChem CID109358003
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-12-3-8-17(26-2)15(9-12)24-18-10-16(21-11-22-18)19(25)23-14-6-4-13(20)5-7-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyHENRROUKFAKOFX-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

N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109198963
N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(3,4-dimethoxyphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357948
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(2,4-difluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356328
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109357298
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (CID 109358003) is N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is HENRROUKFAKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-3-8-17(26-2)15(9-12)24-18-10-16(21-11-22-18)19(25)23-14-6-4-13(20)5-7-14/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-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-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).