3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid

C12H14N2O5 — CID 39103403

IUPAC3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCOCCCn1cnc2oc(C)c(C(=O)O)c2c1=O
InChIInChI=1S/C12H14N2O5/c1-7-8(12(16)17)9-10(19-7)13-6-14(11(9)15)4-3-5-18-2/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeySRZMCRVHZQVPEA-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.03
Rot. Bonds5

About 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid

3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid (PubChem CID 39103403) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
PubChem CID39103403
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
SMILESCOCCCn1cnc2oc(C)c(C(=O)O)c2c1=O
InChIInChI=1S/C12H14N2O5/c1-7-8(12(16)17)9-10(19-7)13-6-14(11(9)15)4-3-5-18-2/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeySRZMCRVHZQVPEA-UHFFFAOYSA-N
XLogP1.03
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid (CID 39103403) is 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid is COCCCn1cnc2oc(C)c(C(=O)O)c2c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
The InChIKey is SRZMCRVHZQVPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-8(12(16)17)9-10(19-7)13-6-14(11(9)15)4-3-5-18-2/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid?
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid has a molecular weight of 266.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 39103403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).