3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine

C12H16ClN3S — CID 103595118

IUPAC3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C12H16ClN3S/c1-16-5-6-17-7-10(16)12-14-9-4-2-3-8(9)11(13)15-12/h10H,2-7H2,1H3
InChIKeyGWUPEZPGRTWJGL-UHFFFAOYSA-N
MW269.80 g/mol
LogP2.34
Rot. Bonds1

About 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine

3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine (PubChem CID 103595118) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine.

Molecular Properties

Compound Name3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine
PubChem CID103595118
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine
SMILESCN1CCSCC1c1nc(Cl)c2c(n1)CCC2
InChIInChI=1S/C12H16ClN3S/c1-16-5-6-17-7-10(16)12-14-9-4-2-3-8(9)11(13)15-12/h10H,2-7H2,1H3
InChIKeyGWUPEZPGRTWJGL-UHFFFAOYSA-N
XLogP2.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine?
The IUPAC name of 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine (CID 103595118) is 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine.
What is the SMILES notation for 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine?
The canonical SMILES for 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine is CN1CCSCC1c1nc(Cl)c2c(n1)CCC2.
What is the InChIKey of 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine?
The InChIKey is GWUPEZPGRTWJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-16-5-6-17-7-10(16)12-14-9-4-2-3-8(9)11(13)15-12/h10H,2-7H2,1H3.
What are the key properties of 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine?
3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine has a molecular weight of 269.80 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-4-methylthiomorpholine is sourced from PubChem (CID 103595118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).