2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C11H15N3OS — CID 106477401

IUPAC2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c2c1CCC2
InChIInChI=1S/C11H15N3OS/c16-10-8-2-1-3-9(8)12-11(13-10)14-4-6-15-7-5-14/h1-7H2,(H,12,13,16)
InChIKeyBQZAHVAOIIVCQL-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.46
Rot. Bonds1

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

2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477401) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477401
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c2c1CCC2
InChIInChI=1S/C11H15N3OS/c16-10-8-2-1-3-9(8)12-11(13-10)14-4-6-15-7-5-14/h1-7H2,(H,12,13,16)
InChIKeyBQZAHVAOIIVCQL-UHFFFAOYSA-N
XLogP1.46
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476897
6-ethyl-5-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478155
2-Morpholin-4-yl-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478668
5-bromo-6-cyclopentyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106482108
2-morpholin-4-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 113839184
6-methyl-2-morpholin-4-yl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 113839309
6-cyclopentyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 113839860

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477401) is 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is S=c1nc(N2CCOCC2)[nH]c2c1CCC2.
What is the InChIKey of 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is BQZAHVAOIIVCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c16-10-8-2-1-3-9(8)12-11(13-10)14-4-6-15-7-5-14/h1-7H2,(H,12,13,16).
What are the key properties of 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 237.33 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).