6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

C17H15FN4O2 — CID 109368156

IUPAC6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H15FN4O2/c1-11-20-15(17(23)19-10-12-5-4-8-24-12)9-16(21-11)22-14-7-3-2-6-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyUOQXURHEAXKQSY-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.19
Rot. Bonds5

About 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide

6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368156) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368156
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C17H15FN4O2/c1-11-20-15(17(23)19-10-12-5-4-8-24-12)9-16(21-11)22-14-7-3-2-6-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyUOQXURHEAXKQSY-UHFFFAOYSA-N
XLogP3.19
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109368133
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368165
6-(3,5-dimethylanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368142
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872
N-(furan-2-ylmethyl)-2-methyl-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109368150
6-[4-(dimethylamino)anilino]-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368191
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360683

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide (CID 109368156) is 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2F)cc(C(=O)NCc2ccco2)n1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is UOQXURHEAXKQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11-20-15(17(23)19-10-12-5-4-8-24-12)9-16(21-11)22-14-7-3-2-6-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide?
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).