2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine

C18H22N4S — CID 133309137

IUPAC2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESCC1SCCN(c2nc(-c3ccccn3)nc3c2CCC3)C1C
InChIInChI=1S/C18H22N4S/c1-12-13(2)23-11-10-22(12)18-14-6-5-8-15(14)20-17(21-18)16-7-3-4-9-19-16/h3-4,7,9,12-13H,5-6,8,10-11H2,1-2H3
InChIKeyOGNUQIWYGINDPX-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.36
Rot. Bonds2

About 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine

2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (PubChem CID 133309137) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
PubChem CID133309137
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Name2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESCC1SCCN(c2nc(-c3ccccn3)nc3c2CCC3)C1C
InChIInChI=1S/C18H22N4S/c1-12-13(2)23-11-10-22(12)18-14-6-5-8-15(14)20-17(21-18)16-7-3-4-9-19-16/h3-4,7,9,12-13H,5-6,8,10-11H2,1-2H3
InChIKeyOGNUQIWYGINDPX-UHFFFAOYSA-N
XLogP3.36
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (CID 133309137) is 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is CC1SCCN(c2nc(-c3ccccn3)nc3c2CCC3)C1C.
What is the InChIKey of 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The InChIKey is OGNUQIWYGINDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4S/c1-12-13(2)23-11-10-22(12)18-14-6-5-8-15(14)20-17(21-18)16-7-3-4-9-19-16/h3-4,7,9,12-13H,5-6,8,10-11H2,1-2H3.
What are the key properties of 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine has a molecular weight of 326.47 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 133309137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).