N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide

C20H17N3O4 — CID 1221771

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide
SMILESCn1c(NC(=O)C2c3ccccc3Oc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C20H17N3O4/c1-22-16(11-17(24)23(2)20(22)26)21-19(25)18-12-7-3-5-9-14(12)27-15-10-6-4-8-13(15)18/h3-11,18H,1-2H3,(H,21,25)
InChIKeySGIASCCTFOWOLZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.96
Rot. Bonds2

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide (PubChem CID 1221771) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide
PubChem CID1221771
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide
SMILESCn1c(NC(=O)C2c3ccccc3Oc3ccccc32)cc(=O)n(C)c1=O
InChIInChI=1S/C20H17N3O4/c1-22-16(11-17(24)23(2)20(22)26)21-19(25)18-12-7-3-5-9-14(12)27-15-10-6-4-8-13(15)18/h3-11,18H,1-2H3,(H,21,25)
InChIKeySGIASCCTFOWOLZ-UHFFFAOYSA-N
XLogP1.96
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide (CID 1221771) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide is Cn1c(NC(=O)C2c3ccccc3Oc3ccccc32)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide?
The InChIKey is SGIASCCTFOWOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-22-16(11-17(24)23(2)20(22)26)21-19(25)18-12-7-3-5-9-14(12)27-15-10-6-4-8-13(15)18/h3-11,18H,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 1221771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).