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

C24H36N6O2S2 — CID 14397680

IUPAC4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCCCCCCSc2nc(C)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C24H36N6O2S2/c1-19-17-21(29-7-11-31-12-8-29)27-23(25-19)33-15-5-3-4-6-16-34-24-26-20(2)18-22(28-24)30-9-13-32-14-10-30/h17-18H,3-16H2,1-2H3
InChIKeyOQKFDYFMCHVQPR-UHFFFAOYSA-N
MW504.73 g/mol
LogP4.00
Rot. Bonds11

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

4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine (PubChem CID 14397680) has the molecular formula C24H36N6O2S2 and a molecular weight of 504.73 g/mol. Its IUPAC name is 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
PubChem CID14397680
Molecular FormulaC24H36N6O2S2
Molecular Weight504.73 g/mol
Exact Mass504.23
IUPAC Name4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(SCCCCCCSc2nc(C)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C24H36N6O2S2/c1-19-17-21(29-7-11-31-12-8-29)27-23(25-19)33-15-5-3-4-6-16-34-24-26-20(2)18-22(28-24)30-9-13-32-14-10-30/h17-18H,3-16H2,1-2H3
InChIKeyOQKFDYFMCHVQPR-UHFFFAOYSA-N
XLogP4.00
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.73
LogP ≤ 54.00
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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Related Compounds

1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylpropan-2-one
CID 4580656
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
2-(4,6-dimorpholin-4-ylpyrimidin-2-yl)sulfanylacetic acid
CID 23993191
[5-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]furan-2-yl]-morpholin-4-ylmethanone
CID 42825099
N-(benzylideneamino)-2-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetamide
CID 4684327
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
(1S,3S,4R)-4,7,7-trimethyl-3-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylbicyclo[2.2.1]heptan-2-one
CID 51414381
methyl 2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 4548131
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
CID 121075524
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine (CID 14397680) is 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(SCCCCCCSc2nc(C)cc(N3CCOCC3)n2)n1.
What is the InChIKey of 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine?
The InChIKey is OQKFDYFMCHVQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2S2/c1-19-17-21(29-7-11-31-12-8-29)27-23(25-19)33-15-5-3-4-6-16-34-24-26-20(2)18-22(28-24)30-9-13-32-14-10-30/h17-18H,3-16H2,1-2H3.
What are the key properties of 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine?
4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine has a molecular weight of 504.73 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[6-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylhexylsulfanyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 14397680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).