3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione

C20H18N2O5 — CID 666783

IUPAC3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C20H18N2O5/c1-3-5-16-21-19-17(20(24)22(16)11-13-6-4-9-26-13)18(23)14-8-7-12(25-2)10-15(14)27-19/h4,6-10H,3,5,11H2,1-2H3
InChIKeyUACANSRXWGZSAC-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.11
Rot. Bonds5

About 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione

3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione (PubChem CID 666783) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione
PubChem CID666783
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione
SMILESCCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1
InChIInChI=1S/C20H18N2O5/c1-3-5-16-21-19-17(20(24)22(16)11-13-6-4-9-26-13)18(23)14-8-7-12(25-2)10-15(14)27-19/h4,6-10H,3,5,11H2,1-2H3
InChIKeyUACANSRXWGZSAC-UHFFFAOYSA-N
XLogP3.11
TPSA87.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione?
The IUPAC name of 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione (CID 666783) is 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione.
What is the SMILES notation for 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione?
The canonical SMILES for 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione is CCCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione?
The InChIKey is UACANSRXWGZSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-5-16-21-19-17(20(24)22(16)11-13-6-4-9-26-13)18(23)14-8-7-12(25-2)10-15(14)27-19/h4,6-10H,3,5,11H2,1-2H3.
What are the key properties of 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione?
3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione has a molecular weight of 366.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-8-methoxy-2-propylchromeno[2,3-d]pyrimidine-4,5-dione is sourced from PubChem (CID 666783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).