N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C19H17FN4O2 — CID 109305700

IUPACN-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H17FN4O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-12-13-5-7-14(20)8-6-13/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyHYMOZHGPGQUXFK-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109305700) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109305700
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C19H17FN4O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-12-13-5-7-14(20)8-6-13/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyHYMOZHGPGQUXFK-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
4-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212227
methyl 3-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109308533
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109309906
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306487
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109305700) is N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is HYMOZHGPGQUXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-16-4-2-3-15(11-16)23-19-21-10-9-17(24-19)18(25)22-12-13-5-7-14(20)8-6-13/h2-11H,12H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109305700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).