1-(furan-3-ylmethyl)pyrimidine-2,4-dione

C9H8N2O3 — CID 83183011

IUPAC1-(furan-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccoc2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O3/c12-8-1-3-11(9(13)10-8)5-7-2-4-14-6-7/h1-4,6H,5H2,(H,10,12,13)
InChIKeyMKCDMJSMKOHHPA-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds2

About 1-(furan-3-ylmethyl)pyrimidine-2,4-dione

1-(furan-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 83183011) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID83183011
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name1-(furan-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(Cc2ccoc2)c(=O)[nH]1
InChIInChI=1S/C9H8N2O3/c12-8-1-3-11(9(13)10-8)5-7-2-4-14-6-7/h1-4,6H,5H2,(H,10,12,13)
InChIKeyMKCDMJSMKOHHPA-UHFFFAOYSA-N
XLogP0.18
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(furan-3-ylmethyl)pyrimidine-2,4-dione (CID 83183011) is 1-(furan-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(furan-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(furan-3-ylmethyl)pyrimidine-2,4-dione is O=c1ccn(Cc2ccoc2)c(=O)[nH]1.
What is the InChIKey of 1-(furan-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is MKCDMJSMKOHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8-1-3-11(9(13)10-8)5-7-2-4-14-6-7/h1-4,6H,5H2,(H,10,12,13).
What are the key properties of 1-(furan-3-ylmethyl)pyrimidine-2,4-dione?
1-(furan-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 192.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 83183011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).