5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

C78H78N12O25 — CID 160611415

IUPAC5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESC#CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.CC1CCC(Cc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1.COCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.O=c1[nH]c(=O)c2c(C3CCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(CC3CCCCCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/2C15H18N2O4.C14H10N2O4.C12H10N2O4.C11H12N2O5.C11H10N2O4/c1-8-2-4-9(5-3-8)6-10-7-11(18)21-14-12(10)13(19)16-15(20)17-14;18-11-8-10(7-9-5-3-1-2-4-6-9)12-13(19)16-15(20)17-14(12)21-11;17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10;1-2-3-4-5-7-6-8(15)18-11-9(7)10(16)13-12(17)14-11;1-17-4-2-3-6-5-7(14)18-10-8(6)9(15)12-11(16)13-10;14-7-4-6(5-2-1-3-5)8-9(15)12-11(16)13-10(8)17-7/h7-9H,2-6H2,1H3,(H2,16,17,19,20);8-9H,1-7H2,(H2,16,17,19,20);1-5,7H,6H2,(H2,15,16,18,19);1,6H,3-5H2,(H2,13,14,16,17);5H,2-4H2,1H3,(H2,12,13,15,16);4-5H,1-3H2,(H2,12,13,15,16)
InChIKeyRFNMYBULRVZWLP-UHFFFAOYSA-N
MW1583.54 g/mol
LogP4.29
Rot. Bonds14

About 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione

5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 160611415) has the molecular formula C78H78N12O25 and a molecular weight of 1583.54 g/mol. Its IUPAC name is 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
PubChem CID160611415
Molecular FormulaC78H78N12O25
Molecular Weight1583.54 g/mol
Exact Mass1582.52
IUPAC Name5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
SMILESC#CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.CC1CCC(Cc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1.COCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.O=c1[nH]c(=O)c2c(C3CCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(CC3CCCCCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1
InChIInChI=1S/2C15H18N2O4.C14H10N2O4.C12H10N2O4.C11H12N2O5.C11H10N2O4/c1-8-2-4-9(5-3-8)6-10-7-11(18)21-14-12(10)13(19)16-15(20)17-14;18-11-8-10(7-9-5-3-1-2-4-6-9)12-13(19)16-15(20)17-14(12)21-11;17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10;1-2-3-4-5-7-6-8(15)18-11-9(7)10(16)13-12(17)14-11;1-17-4-2-3-6-5-7(14)18-10-8(6)9(15)12-11(16)13-10;14-7-4-6(5-2-1-3-5)8-9(15)12-11(16)13-10(8)17-7/h7-9H,2-6H2,1H3,(H2,16,17,19,20);8-9H,1-7H2,(H2,16,17,19,20);1-5,7H,6H2,(H2,15,16,18,19);1,6H,3-5H2,(H2,13,14,16,17);5H,2-4H2,1H3,(H2,12,13,15,16);4-5H,1-3H2,(H2,12,13,15,16)
InChIKeyRFNMYBULRVZWLP-UHFFFAOYSA-N
XLogP4.29
TPSA584.81 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.54
LogP ≤ 54.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione (CID 160611415) is 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is C#CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.CC1CCC(Cc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1.COCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12.O=c1[nH]c(=O)c2c(C3CCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(CC3CCCCCC3)cc(=O)oc2[nH]1.O=c1[nH]c(=O)c2c(Cc3ccccc3)cc(=O)oc2[nH]1.
What is the InChIKey of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is RFNMYBULRVZWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O4.C14H10N2O4.C12H10N2O4.C11H12N2O5.C11H10N2O4/c1-8-2-4-9(5-3-8)6-10-7-11(18)21-14-12(10)13(19)16-15(20)17-14;18-11-8-10(7-9-5-3-1-2-4-6-9)12-13(19)16-15(20)17-14(12)21-11;17-10-7-9(6-8-4-2-1-3-5-8)11-12(18)15-14(19)16-13(11)20-10;1-2-3-4-5-7-6-8(15)18-11-9(7)10(16)13-12(17)14-11;1-17-4-2-3-6-5-7(14)18-10-8(6)9(15)12-11(16)13-10;14-7-4-6(5-2-1-3-5)8-9(15)12-11(16)13-10(8)17-7/h7-9H,2-6H2,1H3,(H2,16,17,19,20);8-9H,1-7H2,(H2,16,17,19,20);1-5,7H,6H2,(H2,15,16,18,19);1,6H,3-5H2,(H2,13,14,16,17);5H,2-4H2,1H3,(H2,12,13,15,16);4-5H,1-3H2,(H2,12,13,15,16).
What are the key properties of 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione?
5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 1583.54 g/mol, XLogP of 4.29, 14 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-cyclobutyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(cycloheptylmethyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-(3-methoxypropyl)-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-[(4-methylcyclohexyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione;5-pent-4-ynyl-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 160611415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).