2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C14H21N3OS — CID 106477575

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1
InChIInChI=1S/C14H21N3OS/c1-9(2)17-6-7-18-12(8-17)13-15-11-5-3-4-10(11)14(19)16-13/h9,12H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyTZXAUMPTTMPSPV-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477575) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477575
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1
InChIInChI=1S/C14H21N3OS/c1-9(2)17-6-7-18-12(8-17)13-15-11-5-3-4-10(11)14(19)16-13/h9,12H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyTZXAUMPTTMPSPV-UHFFFAOYSA-N
XLogP2.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione with MolForge

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Related Compounds

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-tert-butyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476046
5,6-dimethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476733
2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476777
5,6-dimethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476813
5-ethyl-6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476834
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
CID 106476873
5-ethyl-2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106477029
5-ethyl-6-methyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106477067
2-(4-propylmorpholin-2-yl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477092

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477575) is 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is CC(C)N1CCOC(c2nc(=S)c3c([nH]2)CCC3)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is TZXAUMPTTMPSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(2)17-6-7-18-12(8-17)13-15-11-5-3-4-10(11)14(19)16-13/h9,12H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 279.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).