5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

C19H18N4O6 — CID 2836479

IUPAC5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
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/h5-8,11,24H,1-4H3
InChIKeyBAGFUWCHJAATEK-UHFFFAOYSA-N
MW398.38 g/mol
LogP-0.53
Rot. Bonds1

About 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione

5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2836479) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID2836479
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
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/h5-8,11,24H,1-4H3
InChIKeyBAGFUWCHJAATEK-UHFFFAOYSA-N
XLogP-0.53
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione (CID 2836479) is 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is Cn1c(O)c(C2c3ccccc3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BAGFUWCHJAATEK-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/h5-8,11,24H,1-4H3.
What are the key properties of 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione?
5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 398.38 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2836479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).