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

C22H32N6O2S2 — CID 3078955

IUPAC4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine
SMILESCc1cc(SCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H32N6O2S2/c1-17-15-19(25-21(23-17)27-5-9-29-10-6-27)31-13-3-4-14-32-20-16-18(2)24-22(26-20)28-7-11-30-12-8-28/h15-16H,3-14H2,1-2H3
InChIKeyHLOXHRWGGQTCCL-UHFFFAOYSA-N
MW476.67 g/mol
LogP3.22
Rot. Bonds9

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

4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine (PubChem CID 3078955) has the molecular formula C22H32N6O2S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine
PubChem CID3078955
Molecular FormulaC22H32N6O2S2
Molecular Weight476.67 g/mol
Exact Mass476.20
IUPAC Name4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine
SMILESCc1cc(SCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H32N6O2S2/c1-17-15-19(25-21(23-17)27-5-9-29-10-6-27)31-13-3-4-14-32-20-16-18(2)24-22(26-20)28-7-11-30-12-8-28/h15-16H,3-14H2,1-2H3
InChIKeyHLOXHRWGGQTCCL-UHFFFAOYSA-N
XLogP3.22
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

tert-Butyl-[4-(2-chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-amine
CID 3157303
Morpholine, 4,4'-(1,3-propanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078958
Morpholine, 4,4'-(1,5-pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078956
Morpholine, 4,4'-(1,6-hexanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078957
2,2'-((6-Methylpyrimidine-2,4-diyl)bis(sulfanediyl))bis(1-(4-methylpiperazin-1-yl)ethanone)
CID 4749886
5-({[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]sulfanyl}methyl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione
CID 990767
3-[(dimethylamino)methyl]-5-({[6-methyl-2-(4-morpholinyl)-4-pyrimidinyl]sulfanyl}methyl)-1,3,4-oxadiazole-2(3H)-thione
CID 990768
[4-(2-Chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-dimethyl-amine
CID 3157004
2-(2-Chloro-6-methyl-pyrimidin-4-ylsulfanyl)-4,6-di-morpholin-4-yl-[1,3,5]triazine
CID 3157005
[4-(2-Chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-ethyl-amine
CID 3157302
4-[6-Methyl-2-({4-[(4-methyl-6-morpholino-2-pyrimidinyl)sulfanyl]butyl}sulfanyl)-4-pyrimidinyl]morpholine
CID 3717021
2-[(2,6-Dimethylpyrimidin-4-YL)sulfanyl]-1-(morpholin-4-YL)ethan-1-one
CID 23611314

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine (CID 3078955) is 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine is Cc1cc(SCCCCSc2cc(C)nc(N3CCOCC3)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine?
The InChIKey is HLOXHRWGGQTCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2S2/c1-17-15-19(25-21(23-17)27-5-9-29-10-6-27)31-13-3-4-14-32-20-16-18(2)24-22(26-20)28-7-11-30-12-8-28/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine?
4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine has a molecular weight of 476.67 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylbutylsulfanyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 3078955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).