3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one

C9H10N2O2S — CID 170519680

IUPAC3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one
SMILESCCCn1c(=S)[nH]c2ccoc2c1=O
InChIInChI=1S/C9H10N2O2S/c1-2-4-11-8(12)7-6(3-5-13-7)10-9(11)14/h3,5H,2,4H2,1H3,(H,10,14)
InChIKeyOLPFZEOSTNEQFH-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.06
Rot. Bonds2

About 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one

3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one (PubChem CID 170519680) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one
PubChem CID170519680
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one
SMILESCCCn1c(=S)[nH]c2ccoc2c1=O
InChIInChI=1S/C9H10N2O2S/c1-2-4-11-8(12)7-6(3-5-13-7)10-9(11)14/h3,5H,2,4H2,1H3,(H,10,14)
InChIKeyOLPFZEOSTNEQFH-UHFFFAOYSA-N
XLogP2.06
TPSA50.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one (CID 170519680) is 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one is CCCn1c(=S)[nH]c2ccoc2c1=O.
What is the InChIKey of 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one?
The InChIKey is OLPFZEOSTNEQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-4-11-8(12)7-6(3-5-13-7)10-9(11)14/h3,5H,2,4H2,1H3,(H,10,14).
What are the key properties of 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one?
3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one has a molecular weight of 210.26 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-sulfanylidene-1H-furo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 170519680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).