N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C19H24N4S2 — CID 2608301

IUPACN-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C
InChIInChI=1S/C19H24N4S2/c1-13-14(2)25-19-17(13)18(20-10-11-23(3)4)21-16(22-19)12-24-15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3,(H,20,21,22)
InChIKeyOQRODWLIUBNBSG-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.57
Rot. Bonds7

About N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 2608301) has the molecular formula C19H24N4S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID2608301
Molecular FormulaC19H24N4S2
Molecular Weight372.56 g/mol
Exact Mass372.14
IUPAC NameN-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C
InChIInChI=1S/C19H24N4S2/c1-13-14(2)25-19-17(13)18(20-10-11-23(3)4)21-16(22-19)12-24-15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3,(H,20,21,22)
InChIKeyOQRODWLIUBNBSG-UHFFFAOYSA-N
XLogP4.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 2608301) is N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C.
What is the InChIKey of N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is OQRODWLIUBNBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S2/c1-13-14(2)25-19-17(13)18(20-10-11-23(3)4)21-16(22-19)12-24-15-8-6-5-7-9-15/h5-9H,10-12H2,1-4H3,(H,20,21,22).
What are the key properties of N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 372.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 2608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).