methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane

C42H84N10O6S6 — CID 159093487

IUPACmethane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane
SMILESC.CCCC[C@@H](CCS(C)(=O)=O)Nc1nc(C)ncc1OC.CCCC[C@@H](CCS(C)=O)Nc1nc(N)ncc1OC.CCCC[C@@H](CCSC)Nc1nc(C)ncc1OC.S.S.S
InChIInChI=1S/C14H25N3O3S.C14H25N3OS.C13H24N4O2S.CH4.3H2S/c1-5-6-7-12(8-9-21(4,18)19)17-14-13(20-3)10-15-11(2)16-14;1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14;1-4-5-6-10(7-8-20(3)18)16-12-11(19-2)9-15-13(14)17-12;;;;/h10,12H,5-9H2,1-4H3,(H,15,16,17);10,12H,5-9H2,1-4H3,(H,15,16,17);9-10H,4-8H2,1-3H3,(H3,14,15,16,17);1H4;3*1H2/t2*12-;10-,20?;;;;/m000..../s1
InChIKeyKCJCHPGIYGIXOB-YMFPEKLESA-N
MW1017.60 g/mol
LogP8.50
Rot. Bonds27

About methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane

methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane (PubChem CID 159093487) has the molecular formula C42H84N10O6S6 and a molecular weight of 1017.60 g/mol. Its IUPAC name is methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane.

Molecular Properties

Compound Namemethane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane
PubChem CID159093487
Molecular FormulaC42H84N10O6S6
Molecular Weight1017.60 g/mol
Exact Mass1016.49
IUPAC Namemethane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane
SMILESC.CCCC[C@@H](CCS(C)(=O)=O)Nc1nc(C)ncc1OC.CCCC[C@@H](CCS(C)=O)Nc1nc(N)ncc1OC.CCCC[C@@H](CCSC)Nc1nc(C)ncc1OC.S.S.S
InChIInChI=1S/C14H25N3O3S.C14H25N3OS.C13H24N4O2S.CH4.3H2S/c1-5-6-7-12(8-9-21(4,18)19)17-14-13(20-3)10-15-11(2)16-14;1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14;1-4-5-6-10(7-8-20(3)18)16-12-11(19-2)9-15-13(14)17-12;;;;/h10,12H,5-9H2,1-4H3,(H,15,16,17);10,12H,5-9H2,1-4H3,(H,15,16,17);9-10H,4-8H2,1-3H3,(H3,14,15,16,17);1H4;3*1H2/t2*12-;10-,20?;;;;/m000..../s1
InChIKeyKCJCHPGIYGIXOB-YMFPEKLESA-N
XLogP8.50
TPSA218.35 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001017.60
LogP ≤ 58.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine
CID 126699792
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
CID 130357948
5-methoxy-4-N-[(4S)-oct-1-en-4-yl]pyrimidine-2,4-diamine
CID 89318038
6-ethyl-5-[(2-methoxy-5-methylphenyl)methyl]-4-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidine-2,4-diamine
CID 153287626
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
5-[[2-methoxy-5-(2H-tetrazol-5-ylmethyl)phenyl]methyl]-6-methyl-4-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidine-2,4-diamine
CID 134562801
3-[[2-amino-4-methyl-6-[[(3S)-1-methylsulfanylheptan-3-yl]amino]pyrimidin-5-yl]methyl]-N-(3-dimethylphosphorylpropyl)-4-methoxybenzamide
CID 134572397
6-ethyl-5-[[5-(isocyanomethyl)-2-methoxyphenyl]methyl]-4-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidine-2,4-diamine
CID 153287628
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916

Frequently Asked Questions

What is the IUPAC name of methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane?
The IUPAC name of methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane (CID 159093487) is methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane.
What is the SMILES notation for methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane?
The canonical SMILES for methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane is C.CCCC[C@@H](CCS(C)(=O)=O)Nc1nc(C)ncc1OC.CCCC[C@@H](CCS(C)=O)Nc1nc(N)ncc1OC.CCCC[C@@H](CCSC)Nc1nc(C)ncc1OC.S.S.S.
What is the InChIKey of methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane?
The InChIKey is KCJCHPGIYGIXOB-YMFPEKLESA-N. The full InChI is InChI=1S/C14H25N3O3S.C14H25N3OS.C13H24N4O2S.CH4.3H2S/c1-5-6-7-12(8-9-21(4,18)19)17-14-13(20-3)10-15-11(2)16-14;1-5-6-7-12(8-9-19-4)17-14-13(18-3)10-15-11(2)16-14;1-4-5-6-10(7-8-20(3)18)16-12-11(19-2)9-15-13(14)17-12;;;;/h10,12H,5-9H2,1-4H3,(H,15,16,17);10,12H,5-9H2,1-4H3,(H,15,16,17);9-10H,4-8H2,1-3H3,(H3,14,15,16,17);1H4;3*1H2/t2*12-;10-,20?;;;;/m000..../s1.
What are the key properties of methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane?
methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane has a molecular weight of 1017.60 g/mol, XLogP of 8.50, 27 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-methoxy-2-methyl-N-[(3S)-1-methylsulfanylheptan-3-yl]pyrimidin-4-amine;5-methoxy-2-methyl-N-[(3S)-1-methylsulfonylheptan-3-yl]pyrimidin-4-amine;5-methoxy-4-N-[(3S)-1-methylsulfinylheptan-3-yl]pyrimidine-2,4-diamine;sulfane is sourced from PubChem (CID 159093487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).