2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

C14H15N3OS3 — CID 62189302

IUPAC2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCSCc1nc(N)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C14H15N3OS3/c1-18-4-6-19-8-11-16-13(15)12-9(7-21-14(12)17-11)10-3-2-5-20-10/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,17)
InChIKeyOSKZPLAUMTWWNE-UHFFFAOYSA-N
MW337.50 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine

2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189302) has the molecular formula C14H15N3OS3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62189302
Molecular FormulaC14H15N3OS3
Molecular Weight337.50 g/mol
Exact Mass337.04
IUPAC Name2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCSCc1nc(N)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C14H15N3OS3/c1-18-4-6-19-8-11-16-13(15)12-9(7-21-14(12)17-11)10-3-2-5-20-10/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,17)
InChIKeyOSKZPLAUMTWWNE-UHFFFAOYSA-N
XLogP3.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 63485868
5-phenyl-2-(propylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189072
[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245466
4-chloro-2-(2-methylpropylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 63537714
2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62209541
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
methyl 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 62188952
2-(butylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187720
methyl 2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 18075636
2-methyl-4-(4-phenoxyphenoxy)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 4849108
2-butyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 79412130
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 744713

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 62189302) is 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is COCCSCc1nc(N)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OSKZPLAUMTWWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS3/c1-18-4-6-19-8-11-16-13(15)12-9(7-21-14(12)17-11)10-3-2-5-20-10/h2-3,5,7H,4,6,8H2,1H3,(H2,15,16,17).
What are the key properties of 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine?
2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 337.50 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).