2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C16H15N3S2 — CID 83193425

IUPAC2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2csc3ccccc23)nc2c1CSC2
InChIInChI=1S/C16H15N3S2/c1-2-17-15-12-7-20-9-13(12)18-16(19-15)11-8-21-14-6-4-3-5-10(11)14/h3-6,8H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyGSDMVSIMFHAGKH-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.54
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193425) has the molecular formula C16H15N3S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193425
Molecular FormulaC16H15N3S2
Molecular Weight313.45 g/mol
Exact Mass313.07
IUPAC Name2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2csc3ccccc23)nc2c1CSC2
InChIInChI=1S/C16H15N3S2/c1-2-17-15-12-7-20-9-13(12)18-16(19-15)11-8-21-14-6-4-3-5-10(11)14/h3-6,8H,2,7,9H2,1H3,(H,17,18,19)
InChIKeyGSDMVSIMFHAGKH-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-benzothiophen-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191648
2-(2-cyclopropylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193524
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 113373130
2-(2-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190684
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190672
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
2-(2-ethylphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200586
N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193245
2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191212

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193425) is 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2csc3ccccc23)nc2c1CSC2.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is GSDMVSIMFHAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S2/c1-2-17-15-12-7-20-9-13(12)18-16(19-15)11-8-21-14-6-4-3-5-10(11)14/h3-6,8H,2,7,9H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).