N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N5S2 — CID 63381541

IUPACN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnccn2)nc2sccc12
InChIInChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18)
InChIKeyNDJSUORYDYUJIL-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.21
Rot. Bonds5

About N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63381541) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63381541
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC NameN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnccn2)nc2sccc12
InChIInChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18)
InChIKeyNDJSUORYDYUJIL-UHFFFAOYSA-N
XLogP3.21
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
Thieno(2,3-d)pyrimidine, 4-(4-methyl-1-piperazinyl)-, hydrochloride
CID 216792
4-(1-Methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
CID 3956601
2-Thieno[2,3-d]pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-4-amine
CID 16340198
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 31408948
N-[(Z)-1-pyrazin-2-ylethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 134142476
4-N-thieno[2,3-d]pyrimidin-4-yl-1-N-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 168281349
1-(1,3-Thiazol-2-yl)-4-{thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 17436243
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 38773006
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 40671160
4-[4-(1,3-Thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 47079004
4-[3-Methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 75369787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63381541) is N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CSc2cnccn2)nc2sccc12.
What is the InChIKey of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NDJSUORYDYUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).