6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C10H15N3O2S — CID 2150398

IUPAC6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCCN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C10H15N3O2S/c1-15-5-4-13-3-2-8-7(6-13)9(14)12-10(16)11-8/h2-6H2,1H3,(H2,11,12,14,16)
InChIKeyKJDHAKQDXWRNMB-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.44
Rot. Bonds3

About 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 2150398) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID2150398
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOCCN1CCc2[nH]c(=S)[nH]c(=O)c2C1
InChIInChI=1S/C10H15N3O2S/c1-15-5-4-13-3-2-8-7(6-13)9(14)12-10(16)11-8/h2-6H2,1H3,(H2,11,12,14,16)
InChIKeyKJDHAKQDXWRNMB-UHFFFAOYSA-N
XLogP0.44
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methoxypropyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 2137938
6-Butyl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 2137936
6-propyl-2-thioxo-2,3,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 2150389
6-Propan-2-yl-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 2150391
2-sulfanyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-ol
CID 24903892
2-mercapto-6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 24907135
6-methyl-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 53828300
6-Sulfanylidene-12-oxa-1,5,7-triazatricyclo[8.4.0.03,8]tetradec-3(8)-en-4-one
CID 130434500
5-Sulfanylidene-13-oxa-4,6,10-triazatricyclo[8.4.0.02,7]tetradec-2(7)-en-3-one
CID 130434534
6-butyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 2137935
6-(3-methoxypropyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 2137937
6-propyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 2150388

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 2150398) is 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COCCN1CCc2[nH]c(=S)[nH]c(=O)c2C1.
What is the InChIKey of 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KJDHAKQDXWRNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-5-4-13-3-2-8-7(6-13)9(14)12-10(16)11-8/h2-6H2,1H3,(H2,11,12,14,16).
What are the key properties of 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 241.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 2150398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).