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

C16H18N4S — CID 53192919

IUPAC4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESc1cc(-c2nc3c(c(N4CCSCC4)n2)CCC3)ccn1
InChIInChI=1S/C16H18N4S/c1-2-13-14(3-1)18-15(12-4-6-17-7-5-12)19-16(13)20-8-10-21-11-9-20/h4-7H,1-3,8-11H2
InChIKeyCOKANGUPROEYFM-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.58
Rot. Bonds2

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

4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (PubChem CID 53192919) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
PubChem CID53192919
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
SMILESc1cc(-c2nc3c(c(N4CCSCC4)n2)CCC3)ccn1
InChIInChI=1S/C16H18N4S/c1-2-13-14(3-1)18-15(12-4-6-17-7-5-12)19-16(13)20-8-10-21-11-9-20/h4-7H,1-3,8-11H2
InChIKeyCOKANGUPROEYFM-UHFFFAOYSA-N
XLogP2.58
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The IUPAC name of 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine (CID 53192919) is 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The canonical SMILES for 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is c1cc(-c2nc3c(c(N4CCSCC4)n2)CCC3)ccn1.
What is the InChIKey of 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
The InChIKey is COKANGUPROEYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-2-13-14(3-1)18-15(12-4-6-17-7-5-12)19-16(13)20-8-10-21-11-9-20/h4-7H,1-3,8-11H2.
What are the key properties of 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine?
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine has a molecular weight of 298.41 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine is sourced from PubChem (CID 53192919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).