2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

C18H15FN4O2 — CID 109268538

IUPAC2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-16-4-2-3-15(9-16)22-17(24)12-10-20-18(21-11-12)23-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyPORISMXRGOERHF-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.62
Rot. Bonds5

About 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide

2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109268538) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109268538
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cnc(Nc3ccc(F)cc3)nc2)c1
InChIInChI=1S/C18H15FN4O2/c1-25-16-4-2-3-15(9-16)22-17(24)12-10-20-18(21-11-12)23-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyPORISMXRGOERHF-UHFFFAOYSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
methyl 3-[[5-[(3-methoxyphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109269515
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269522
2-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269533
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
2-(2,5-dimethoxyanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109269933
2-(4-chloroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109268903
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3,4-dimethoxyphenyl)-3-[[5-(4-fluorophenyl)pyrimidin-2-yl]amino]benzamide
CID 50826559
N-(3-methoxyphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263795

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide (CID 109268538) is 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2cnc(Nc3ccc(F)cc3)nc2)c1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is PORISMXRGOERHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-16-4-2-3-15(9-16)22-17(24)12-10-20-18(21-11-12)23-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide?
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).