4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide

C15H15FN4O4 — CID 69239871

IUPAC4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide
SMILESCOc1nc(C(N)=O)nc(C(=O)NCc2ccc(F)cc2)c1OC
InChIInChI=1S/C15H15FN4O4/c1-23-11-10(19-13(12(17)21)20-15(11)24-2)14(22)18-7-8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyIJIBVUGMOQQLRI-UHFFFAOYSA-N
MW334.31 g/mol
LogP0.66
Rot. Bonds6

About 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide

4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide (PubChem CID 69239871) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide
PubChem CID69239871
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide
SMILESCOc1nc(C(N)=O)nc(C(=O)NCc2ccc(F)cc2)c1OC
InChIInChI=1S/C15H15FN4O4/c1-23-11-10(19-13(12(17)21)20-15(11)24-2)14(22)18-7-8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H2,17,21)(H,18,22)
InChIKeyIJIBVUGMOQQLRI-UHFFFAOYSA-N
XLogP0.66
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(dimethylamino)propan-2-yl]-N-[(4-fluorophenyl)methyl]-5-hydroxy-6-methoxypyrimidine-4-carboxamide
CID 21112190
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
5-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 110392627
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-1-methyl-5-[(2-methylpropan-2-yl)oxy]-6-oxopyrimidine-4-carboxamide
CID 142590972
N-[(4-fluorophenyl)methyl]-5-methylthiadiazole-4-carboxamide
CID 35763898
5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
N-[(4-fluorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 75455329
4-[ethyl(methyl)amino]-N-[(4-fluorophenyl)methyl]phthalazine-1-carboxamide
CID 42690957
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348377
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide (CID 69239871) is 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide is COc1nc(C(N)=O)nc(C(=O)NCc2ccc(F)cc2)c1OC.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide?
The InChIKey is IJIBVUGMOQQLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4/c1-23-11-10(19-13(12(17)21)20-15(11)24-2)14(22)18-7-8-3-5-9(16)6-4-8/h3-6H,7H2,1-2H3,(H2,17,21)(H,18,22).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide?
4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide has a molecular weight of 334.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-5,6-dimethoxypyrimidine-2,4-dicarboxamide is sourced from PubChem (CID 69239871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).