5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C21H20N4S2 — CID 9266914

IUPAC5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3ccccc3)nc(NCc3cccnc3)c2c1C
InChIInChI=1S/C21H20N4S2/c1-14-15(2)27-21-19(14)20(23-12-16-7-6-10-22-11-16)24-18(25-21)13-26-17-8-4-3-5-9-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyRSZSXYLHYZBZAU-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.61
Rot. Bonds6

About 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 9266914) has the molecular formula C21H20N4S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID9266914
Molecular FormulaC21H20N4S2
Molecular Weight392.55 g/mol
Exact Mass392.11
IUPAC Name5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3ccccc3)nc(NCc3cccnc3)c2c1C
InChIInChI=1S/C21H20N4S2/c1-14-15(2)27-21-19(14)20(23-12-16-7-6-10-22-11-16)24-18(25-21)13-26-17-8-4-3-5-9-17/h3-11H,12-13H2,1-2H3,(H,23,24,25)
InChIKeyRSZSXYLHYZBZAU-UHFFFAOYSA-N
XLogP5.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 17436880
3-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 9280410
2-benzyl-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
methyl 2-[4-(benzylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]acetate
CID 4549818
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126537715
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
(4-chlorophenyl)methyl-[[4-[(4-chlorophenyl)methylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 2125578
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 9266914) is 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CSc3ccccc3)nc(NCc3cccnc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RSZSXYLHYZBZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4S2/c1-14-15(2)27-21-19(14)20(23-12-16-7-6-10-22-11-16)24-18(25-21)13-26-17-8-4-3-5-9-17/h3-11H,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 392.55 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9266914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).