N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C13H12FN3O3 — CID 71778347

IUPACN-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C13H12FN3O3/c1-17-12(19)10(7-16-13(17)20)11(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)(H,16,20)
InChIKeyRYCINZRSVSWNHZ-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.14
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778347) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778347
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC NameN-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCc2ccc(F)cc2)c1=O
InChIInChI=1S/C13H12FN3O3/c1-17-12(19)10(7-16-13(17)20)11(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)(H,16,20)
InChIKeyRYCINZRSVSWNHZ-UHFFFAOYSA-N
XLogP0.14
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778347) is N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCc2ccc(F)cc2)c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RYCINZRSVSWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-17-12(19)10(7-16-13(17)20)11(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18)(H,16,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 277.26 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).