2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C16H11N5O5 — CID 70568243

IUPAC2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C16H11N5O5/c22-11-3-4-17-15(18-11)19-12(23)7-1-2-10-8(5-7)6-9-13(24)20-16(25)21-14(9)26-10/h1-5H,6H2,(H2,20,21,24,25)(H2,17,18,19,22,23)
InChIKeyWWTMWUCGYSCZBU-UHFFFAOYSA-N
MW353.29 g/mol
LogP0.10
Rot. Bonds2

About 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 70568243) has the molecular formula C16H11N5O5 and a molecular weight of 353.29 g/mol. Its IUPAC name is 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID70568243
Molecular FormulaC16H11N5O5
Molecular Weight353.29 g/mol
Exact Mass353.08
IUPAC Name2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1nccc(=O)[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C16H11N5O5/c22-11-3-4-17-15(18-11)19-12(23)7-1-2-10-8(5-7)6-9-13(24)20-16(25)21-14(9)26-10/h1-5H,6H2,(H2,20,21,24,25)(H2,17,18,19,22,23)
InChIKeyWWTMWUCGYSCZBU-UHFFFAOYSA-N
XLogP0.10
TPSA149.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 70568243) is 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is O=C(Nc1nccc(=O)[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2.
What is the InChIKey of 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is WWTMWUCGYSCZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O5/c22-11-3-4-17-15(18-11)19-12(23)7-1-2-10-8(5-7)6-9-13(24)20-16(25)21-14(9)26-10/h1-5H,6H2,(H2,20,21,24,25)(H2,17,18,19,22,23).
What are the key properties of 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 353.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(6-oxo-1H-pyrimidin-2-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 70568243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).