2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C14H13N3O2S — CID 83193663

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)nc2c1CSC2
InChIInChI=1S/C14H13N3O2S/c15-13-9-6-20-7-10(9)16-14(17-13)8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5H,3-4,6-7H2,(H2,15,16,17)
InChIKeyZINNBMLZKFLZQS-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.24
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83193663) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83193663
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc3c(c2)OCCO3)nc2c1CSC2
InChIInChI=1S/C14H13N3O2S/c15-13-9-6-20-7-10(9)16-14(17-13)8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5H,3-4,6-7H2,(H2,15,16,17)
InChIKeyZINNBMLZKFLZQS-UHFFFAOYSA-N
XLogP2.24
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193655
[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191661
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-amine
CID 82079467
2-[4-(trifluoromethylsulfanyl)phenyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193657
4-bromo-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine
CID 82307863
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
2-(3,4-dihydro-2H-chromen-4-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83192961
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2,5-diamine
CID 82342225
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83193663) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc3c(c2)OCCO3)nc2c1CSC2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is ZINNBMLZKFLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c15-13-9-6-20-7-10(9)16-14(17-13)8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5H,3-4,6-7H2,(H2,15,16,17).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 287.34 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83193663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).