2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C12H17N3OS — CID 106477488

IUPAC2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1
InChIInChI=1S/C12H17N3OS/c1-15-5-6-16-10(7-15)11-13-9-4-2-3-8(9)12(17)14-11/h10H,2-7H2,1H3,(H,13,14,17)
InChIKeyBSOKBHRPYMIMIB-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.63
Rot. Bonds1

About 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477488) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477488
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCN1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1
InChIInChI=1S/C12H17N3OS/c1-15-5-6-16-10(7-15)11-13-9-4-2-3-8(9)12(17)14-11/h10H,2-7H2,1H3,(H,13,14,17)
InChIKeyBSOKBHRPYMIMIB-UHFFFAOYSA-N
XLogP1.63
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione 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

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-tert-butyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476010
5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476733
2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476777
5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476813
5-ethyl-6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476834
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476873
5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106477029
5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106477067

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477488) is 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CN1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is BSOKBHRPYMIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-15-5-6-16-10(7-15)11-13-9-4-2-3-8(9)12(17)14-11/h10H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 251.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).