2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

C15H17FN4O2 — CID 109300300

IUPAC2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O2/c1-22-9-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-2-4-11(16)10-12/h2,4-6,8,10H,3,7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyHZJJATYAOCODED-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.13
Rot. Bonds7

About 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide

2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109300300) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109300300
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(Nc2cccc(F)c2)n1
InChIInChI=1S/C15H17FN4O2/c1-22-9-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-2-4-11(16)10-12/h2,4-6,8,10H,3,7,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyHZJJATYAOCODED-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167115
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N,N-diethyl-2-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109310906
methyl 3-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109308533
2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109300300) is 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(Nc2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is HZJJATYAOCODED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-22-9-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-2-4-11(16)10-12/h2,4-6,8,10H,3,7,9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).