4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine

C23H34N6O2S2 — CID 3078956

IUPAC4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine
SMILESCc1cc(SCCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H34N6O2S2/c1-18-16-20(26-22(24-18)28-6-10-30-11-7-28)32-14-4-3-5-15-33-21-17-19(2)25-23(27-21)29-8-12-31-13-9-29/h16-17H,3-15H2,1-2H3
InChIKeyZUPWHLAGRMZUAR-UHFFFAOYSA-N
MW490.70 g/mol
LogP3.61
Rot. Bonds10

About 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine

4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine (PubChem CID 3078956) has the molecular formula C23H34N6O2S2 and a molecular weight of 490.70 g/mol. Its IUPAC name is 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine
PubChem CID3078956
Molecular FormulaC23H34N6O2S2
Molecular Weight490.70 g/mol
Exact Mass490.22
IUPAC Name4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine
SMILESCc1cc(SCCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H34N6O2S2/c1-18-16-20(26-22(24-18)28-6-10-30-11-7-28)32-14-4-3-5-15-33-21-17-19(2)25-23(27-21)29-8-12-31-13-9-29/h16-17H,3-15H2,1-2H3
InChIKeyZUPWHLAGRMZUAR-UHFFFAOYSA-N
XLogP3.61
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.70
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine (CID 3078956) is 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine is Cc1cc(SCCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine?
The InChIKey is ZUPWHLAGRMZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2S2/c1-18-16-20(26-22(24-18)28-6-10-30-11-7-28)32-14-4-3-5-15-33-21-17-19(2)25-23(27-21)29-8-12-31-13-9-29/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine has a molecular weight of 490.70 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3078956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).