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

C16H12FN5O3 — CID 121026910

IUPAC3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cnccn1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C16H12FN5O3/c17-12-4-2-1-3-10(12)9-22-15(24)11(7-20-16(22)25)14(23)21-13-8-18-5-6-19-13/h1-8H,9H2,(H,20,25)(H,19,21,23)
InChIKeyCFEOHXAXXLUZPO-UHFFFAOYSA-N
MW341.30 g/mol
LogP0.77
Rot. Bonds4

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

3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 121026910) has the molecular formula C16H12FN5O3 and a molecular weight of 341.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID121026910
Molecular FormulaC16H12FN5O3
Molecular Weight341.30 g/mol
Exact Mass341.09
IUPAC Name3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cnccn1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C16H12FN5O3/c17-12-4-2-1-3-10(12)9-22-15(24)11(7-20-16(22)25)14(23)21-13-8-18-5-6-19-13/h1-8H,9H2,(H,20,25)(H,19,21,23)
InChIKeyCFEOHXAXXLUZPO-UHFFFAOYSA-N
XLogP0.77
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide (CID 121026910) is 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide is O=C(Nc1cnccn1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is CFEOHXAXXLUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O3/c17-12-4-2-1-3-10(12)9-22-15(24)11(7-20-16(22)25)14(23)21-13-8-18-5-6-19-13/h1-8H,9H2,(H,20,25)(H,19,21,23).
What are the key properties of 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide?
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 341.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).