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

C12H17N3S — CID 53192885

IUPAC4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESCc1nc2c(c(N3CCSCC3)n1)CCC2
InChIInChI=1S/C12H17N3S/c1-9-13-11-4-2-3-10(11)12(14-9)15-5-7-16-8-6-15/h2-8H2,1H3
InChIKeyFAALGXQHQDTXKJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.83
Rot. Bonds1

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

4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (PubChem CID 53192885) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
PubChem CID53192885
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESCc1nc2c(c(N3CCSCC3)n1)CCC2
InChIInChI=1S/C12H17N3S/c1-9-13-11-4-2-3-10(11)12(14-9)15-5-7-16-8-6-15/h2-8H2,1H3
InChIKeyFAALGXQHQDTXKJ-UHFFFAOYSA-N
XLogP1.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methyl-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 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (CID 53192885) is 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is Cc1nc2c(c(N3CCSCC3)n1)CCC2.
What is the InChIKey of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The InChIKey is FAALGXQHQDTXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-13-11-4-2-3-10(11)12(14-9)15-5-7-16-8-6-15/h2-8H2,1H3.
What are the key properties of 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine has a molecular weight of 235.36 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 53192885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).