azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

C17H17N5O7 — CID 131666733

About azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione

azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 131666733) has the molecular formula C17H17N5O7 and a molecular weight of 403.35 g/mol. Its IUPAC name is azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 131666733
• Molecular Formula: C17H17N5O7
• Molecular Weight: 403.35 g/mol
• Exact Mass: 403.11
• IUPAC Name: azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
• SMILES: Cn1c(O)c(C2c3ccc(O)cc3Oc3[nH]c(=O)n(C)c(=O)c32)c(=O)[nH]c1=O.N
• InChI: InChI=1S/C17H14N4O7.H3N/c1-20-14(24)10(12(23)18-16(20)26)9-7-4-3-6(22)5-8(7)28-13-11(9)15(25)21(2)17(27)19-13;/h3-5,9,22,24H,1-2H3,(H,19,27)(H,18,23,26);1H3
• InChIKey: ZQOWTWFLIGQCJB-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 194.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.35
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione (CID 131666733) is azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is Cn1c(O)c(C2c3ccc(O)cc3Oc3[nH]c(=O)n(C)c(=O)c32)c(=O)[nH]c1=O.N.

What is the InChIKey of azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

The InChIKey is ZQOWTWFLIGQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O7.H3N/c1-20-14(24)10(12(23)18-16(20)26)9-7-4-3-6(22)5-8(7)28-13-11(9)15(25)21(2)17(27)19-13;/h3-5,9,22,24H,1-2H3,(H,19,27)(H,18,23,26);1H3.

What are the key properties of azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione?

azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 403.35 g/mol, XLogP of -0.68, 1 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for azane;8-hydroxy-5-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-3-methyl-1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 131666733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).