5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C19H17N5O4 — CID 59304878

IUPAC5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3nn(-c4ccccc4)nc3C)[nH]c(=O)c12
InChIInChI=1S/C19H17N5O4/c1-3-12-9-15(25)28-18-16(12)17(26)20-19(21-18)27-10-14-11(2)22-24(23-14)13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3,(H,20,21,26)
InChIKeyUCJQLCLDGMIUEJ-UHFFFAOYSA-N
MW379.38 g/mol
LogP1.91
Rot. Bonds5

About 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59304878) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59304878
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCc1cc(=O)oc2nc(OCc3nn(-c4ccccc4)nc3C)[nH]c(=O)c12
InChIInChI=1S/C19H17N5O4/c1-3-12-9-15(25)28-18-16(12)17(26)20-19(21-18)27-10-14-11(2)22-24(23-14)13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3,(H,20,21,26)
InChIKeyUCJQLCLDGMIUEJ-UHFFFAOYSA-N
XLogP1.91
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59304878) is 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCc1cc(=O)oc2nc(OCc3nn(-c4ccccc4)nc3C)[nH]c(=O)c12.
What is the InChIKey of 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is UCJQLCLDGMIUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-3-12-9-15(25)28-18-16(12)17(26)20-19(21-18)27-10-14-11(2)22-24(23-14)13-7-5-4-6-8-13/h4-9H,3,10H2,1-2H3,(H,20,21,26).
What are the key properties of 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 379.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59304878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).