6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

C9H9N3O3 — CID 833803

IUPAC6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C9H9N3O3/c10-7-4-8(13)11-9(14)12(7)5-6-2-1-3-15-6/h1-4H,5,10H2,(H,11,13,14)
InChIKeyGHRQDNKXGRCCNU-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.24
Rot. Bonds2

About 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione

6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 833803) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID833803
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)[nH]c(=O)n1Cc1ccco1
InChIInChI=1S/C9H9N3O3/c10-7-4-8(13)11-9(14)12(7)5-6-2-1-3-15-6/h1-4H,5,10H2,(H,11,13,14)
InChIKeyGHRQDNKXGRCCNU-UHFFFAOYSA-N
XLogP-0.24
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione (CID 833803) is 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is Nc1cc(=O)[nH]c(=O)n1Cc1ccco1.
What is the InChIKey of 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is GHRQDNKXGRCCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c10-7-4-8(13)11-9(14)12(7)5-6-2-1-3-15-6/h1-4H,5,10H2,(H,11,13,14).
What are the key properties of 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione?
6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 207.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(furan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 833803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).