1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol

C24H36N6O2S2 — CID 21155255

IUPAC1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol
SMILESCc1cc(C2CNCCO2)nc(C(S)CCCCC(S)c2nc(C)cc(C3CNCCO3)n2)n1
InChIInChI=1S/C24H36N6O2S2/c1-15-11-17(19-13-25-7-9-31-19)29-23(27-15)21(33)5-3-4-6-22(34)24-28-16(2)12-18(30-24)20-14-26-8-10-32-20/h11-12,19-22,25-26,33-34H,3-10,13-14H2,1-2H3
InChIKeyZMFUFWAPNSGMDQ-UHFFFAOYSA-N
MW504.73 g/mol
LogP3.41
Rot. Bonds9

About 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol

1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol (PubChem CID 21155255) has the molecular formula C24H36N6O2S2 and a molecular weight of 504.73 g/mol. Its IUPAC name is 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol.

Molecular Properties

Compound Name1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol
PubChem CID21155255
Molecular FormulaC24H36N6O2S2
Molecular Weight504.73 g/mol
Exact Mass504.23
IUPAC Name1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol
SMILESCc1cc(C2CNCCO2)nc(C(S)CCCCC(S)c2nc(C)cc(C3CNCCO3)n2)n1
InChIInChI=1S/C24H36N6O2S2/c1-15-11-17(19-13-25-7-9-31-19)29-23(27-15)21(33)5-3-4-6-22(34)24-28-16(2)12-18(30-24)20-14-26-8-10-32-20/h11-12,19-22,25-26,33-34H,3-10,13-14H2,1-2H3
InChIKeyZMFUFWAPNSGMDQ-UHFFFAOYSA-N
XLogP3.41
TPSA94.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.73
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol with MolForge

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Related Compounds

(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317
2-(1,5-dimethylpyrazol-3-yl)morpholine
CID 82601049
2-(2-methylpyrimidin-4-yl)morpholine
CID 66509815
2-(6-bromo-5-methyl-2-pyridinyl)morpholine
CID 86586429
2-(2-propan-2-yl-1,3-thiazol-4-yl)morpholine
CID 82660630
2-[4-methyl-6-(1H-pyrrol-2-yl)pyrimidin-2-yl]morpholine
CID 116895553
(2S)-2-[5-methyl-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 169049574
2-(4-methylpyrimidin-2-yl)morpholine
CID 116901757
2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]morpholine
CID 114469199
2-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)morpholine
CID 79796200
2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholine
CID 110135239
2-cinnolin-3-ylmorpholine
CID 116988006

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol?
The IUPAC name of 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol (CID 21155255) is 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol.
What is the SMILES notation for 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol?
The canonical SMILES for 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol is Cc1cc(C2CNCCO2)nc(C(S)CCCCC(S)c2nc(C)cc(C3CNCCO3)n2)n1.
What is the InChIKey of 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol?
The InChIKey is ZMFUFWAPNSGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2S2/c1-15-11-17(19-13-25-7-9-31-19)29-23(27-15)21(33)5-3-4-6-22(34)24-28-16(2)12-18(30-24)20-14-26-8-10-32-20/h11-12,19-22,25-26,33-34H,3-10,13-14H2,1-2H3.
What are the key properties of 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol?
1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol has a molecular weight of 504.73 g/mol, XLogP of 3.41, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-methyl-6-morpholin-2-ylpyrimidin-2-yl)hexane-1,6-dithiol is sourced from PubChem (CID 21155255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).