5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C19H18N4O6 — CID 3132928

IUPAC5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)C(=O)N(C)C1=O
InChIInChI=1S/C19H18N4O6/c1-20-14(24)12(15(25)21(2)18(20)27)11-9-7-5-6-8-10(9)29-17-13(11)16(26)22(3)19(28)23(17)4/h5-8,11-12H,1-4H3
InChIKeyQGPMVTSLBXJDFU-UHFFFAOYSA-N
MW398.38 g/mol
LogP-0.01
Rot. Bonds1

About 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 3132928) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID3132928
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(C2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)C(=O)N(C)C1=O
InChIInChI=1S/C19H18N4O6/c1-20-14(24)12(15(25)21(2)18(20)27)11-9-7-5-6-8-10(9)29-17-13(11)16(26)22(3)19(28)23(17)4/h5-8,11-12H,1-4H3
InChIKeyQGPMVTSLBXJDFU-UHFFFAOYSA-N
XLogP-0.01
TPSA110.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 3132928) is 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)C(C2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)C(=O)N(C)C1=O.
What is the InChIKey of 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QGPMVTSLBXJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-20-14(24)12(15(25)21(2)18(20)27)11-9-7-5-6-8-10(9)29-17-13(11)16(26)22(3)19(28)23(17)4/h5-8,11-12H,1-4H3.
What are the key properties of 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 398.38 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3132928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).