N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

C22H17FN4O2 — CID 112853925

IUPACN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17FN4O2/c23-16-8-4-9-17(12-16)25-22(28)19-13-20(24-14-18-10-5-11-29-18)27-21(26-19)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,24,26,27)
InChIKeyRILBTXCABBLYCU-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.74
Rot. Bonds6

About N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853925) has the molecular formula C22H17FN4O2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853925
Molecular FormulaC22H17FN4O2
Molecular Weight388.40 g/mol
Exact Mass388.13
IUPAC NameN-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc(NCc2ccco2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17FN4O2/c23-16-8-4-9-17(12-16)25-22(28)19-13-20(24-14-18-10-5-11-29-18)27-21(26-19)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,24,26,27)
InChIKeyRILBTXCABBLYCU-UHFFFAOYSA-N
XLogP4.74
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxylic acid
CID 82170122
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
N-[3-[[6-(furan-2-ylmethylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112881203
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
6-(furan-2-ylmethylamino)-N-[(4-methylphenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112853891
N-(furan-2-ylmethyl)-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112853936
6-(furan-2-ylmethylamino)-2-(3-methylphenyl)pyrimidine-4-carboxylic acid
CID 82170124
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide (CID 112853925) is N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is O=C(Nc1cccc(F)c1)c1cc(NCc2ccco2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is RILBTXCABBLYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2/c23-16-8-4-9-17(12-16)25-22(28)19-13-20(24-14-18-10-5-11-29-18)27-21(26-19)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,28)(H,24,26,27).
What are the key properties of N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).