2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C17H15FN4O2 — CID 109254879

IUPAC2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C17H15FN4O2/c18-15-6-2-1-4-12(15)8-20-17-21-9-13(10-22-17)16(23)19-11-14-5-3-7-24-14/h1-7,9-10H,8,11H2,(H,19,23)(H,20,21,22)
InChIKeyFKWHBSXFNJRZBE-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.75
Rot. Bonds6

About 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109254879) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109254879
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccco1)c1cnc(NCc2ccccc2F)nc1
InChIInChI=1S/C17H15FN4O2/c18-15-6-2-1-4-12(15)8-20-17-21-9-13(10-22-17)16(23)19-11-14-5-3-7-24-14/h1-7,9-10H,8,11H2,(H,19,23)(H,20,21,22)
InChIKeyFKWHBSXFNJRZBE-UHFFFAOYSA-N
XLogP2.75
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-~{tert}-Butyl-4-(Furan-2-Ylmethylamino)-~{n}-(2-Methylpropyl)-~{n}-[(3~{s})-Piperidin-3-Yl]pyrimidine-5-Carboxamide
CID 59625584
methyl (3R,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625306
2-tert-butyl-4-(furan-2-ylmethylamino)-N-(2-methylpropyl)-N-[(3S)-piperidin-3-yl]pyrimidine-5-carboxamide;dihydrochloride
CID 68432286
Triazine-4-carboxamide, 11
CID 44520936
Triazine-4-carboxamide, 12
CID 44520937
N-[7-(4-fluorophenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]furan-2-carboxamide
CID 664377
Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
Furan-2-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330390
2-Benzylsulfanyl-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470306
2-(2-Fluoro-benzylsulfanyl)-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470375
2-(3-Fluoro-benzylsulfanyl)-1-furan-2-ylmethyl-5-pyrimidin-5-ylmethyl-1H-pyrimidin-4-one
CID 18470516
methyl (3S,5S)-5-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]piperidine-3-carboxylate
CID 59625336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109254879) is 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccco1)c1cnc(NCc2ccccc2F)nc1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is FKWHBSXFNJRZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c18-15-6-2-1-4-12(15)8-20-17-21-9-13(10-22-17)16(23)19-11-14-5-3-7-24-14/h1-7,9-10H,8,11H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).