2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C11H15N3S — CID 114738356

IUPAC2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1nc(C2CCCS2)nc2c1CNCC2
InChIInChI=1S/C11H15N3S/c1-2-10(15-5-1)11-13-7-8-6-12-4-3-9(8)14-11/h7,10,12H,1-6H2
InChIKeyGWHPLIIGQGBMGB-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.69
Rot. Bonds1

About 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738356) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738356
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1nc(C2CCCS2)nc2c1CNCC2
InChIInChI=1S/C11H15N3S/c1-2-10(15-5-1)11-13-7-8-6-12-4-3-9(8)14-11/h7,10,12H,1-6H2
InChIKeyGWHPLIIGQGBMGB-UHFFFAOYSA-N
XLogP1.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
4-methyl-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)thiomorpholine
CID 106446214
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738447
4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742641
2-piperidin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115030908
2-(thiolan-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115025453
1-[amino(cyclopropyl)methyl]piperazin-2-amine;2-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 163299098
2-cyclopentyl-1-[(2S)-2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 92567872
2-(cyclohexylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738325
2-cyclopentyl-1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 92567837
1-[(3S)-3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 92586468
2-cyclopentyl-1-[3-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110241151

Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738356) is 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1nc(C2CCCS2)nc2c1CNCC2.
What is the InChIKey of 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is GWHPLIIGQGBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-10(15-5-1)11-13-7-8-6-12-4-3-9(8)14-11/h7,10,12H,1-6H2.
What are the key properties of 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 221.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).