6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C10H15N3OS — CID 2150391

IUPAC6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C10H15N3OS/c1-6(2)13-4-3-8-7(5-13)9(14)12-10(15)11-8/h6H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyAXHMZPFIRXUQEJ-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.20
Rot. Bonds1

About 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 2150391) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID2150391
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C10H15N3OS/c1-6(2)13-4-3-8-7(5-13)9(14)12-10(15)11-8/h6H,3-5H2,1-2H3,(H2,11,12,14,15)
InChIKeyAXHMZPFIRXUQEJ-UHFFFAOYSA-N
XLogP1.20
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 2150391) is 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)N1CCc2[nH]c(=S)[nH]c(=O)c2C1.
What is the InChIKey of 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AXHMZPFIRXUQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-6(2)13-4-3-8-7(5-13)9(14)12-10(15)11-8/h6H,3-5H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 225.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 2150391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).