4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine

C13H20N3OS+ — CID 3157868

IUPAC4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc([S+]2CCCC2)n1
InChIInChI=1S/C13H20N3OS/c1-11-10-12(16-4-6-17-7-5-16)15-13(14-11)18-8-2-3-9-18/h10H,2-9H2,1H3/q+1
InChIKeyFMWWKNDGNBVFAR-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.39
Rot. Bonds2

About 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine

4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 3157868) has the molecular formula C13H20N3OS+ and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
PubChem CID3157868
Molecular FormulaC13H20N3OS+
Molecular Weight266.39 g/mol
Exact Mass266.13
IUPAC Name4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc([S+]2CCCC2)n1
InChIInChI=1S/C13H20N3OS/c1-11-10-12(16-4-6-17-7-5-16)15-13(14-11)18-8-2-3-9-18/h10H,2-9H2,1H3/q+1
InChIKeyFMWWKNDGNBVFAR-UHFFFAOYSA-N
XLogP1.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Isopropyl-6-methyl-4-pyrimidinyl)morpholine
CID 3306908
Methyl 2-{[4-methyl-6-(morpholin-4-YL)pyrimidin-2-YL]sulfanyl}acetate
CID 2147954
2-Amino-4-morpholino-6-methylpyrimidine
CID 3642905
4-{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}morpholine hydrochloride
CID 2843233
3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 975615
2-((4,6-Dimethylpyrimidin-2-yl)thio)-1-morpholinoethanone
CID 695461
Acetic acid, ((4-methyl-6-(4-morpholinyl)-2-pyrimidinyl)thio)-
CID 723195
Morpholine, 4-(6-((4,6-dimethyl-2-pyrimidinyl)thio)hexyl)-
CID 3021602
Acetic acid, ((6-methyl-4-morpholino-2-pyrimidinyl)thio)-, hydrazide
CID 3060315
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
Pyrimidine, 4-methyl-2-((1-methylethyl)thio)-6-(1-piperidinyl)-
CID 3074006
N,N,6-Trimethyl-2-{4-[(2-methyl-1,3-thiazol-4-YL)methyl]morpholin-3-YL}pyrimidin-4-amine
CID 110113843

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine (CID 3157868) is 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc([S+]2CCCC2)n1.
What is the InChIKey of 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is FMWWKNDGNBVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N3OS/c1-11-10-12(16-4-6-17-7-5-16)15-13(14-11)18-8-2-3-9-18/h10H,2-9H2,1H3/q+1.
What are the key properties of 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine?
4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 266.39 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-(thiolan-1-ium-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 3157868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).