N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine

C18H19N3O2S — CID 42951280

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCN(CC1COc2ccccc2O1)c1ncnc2ccsc12
InChIInChI=1S/C18H19N3O2S/c1-2-8-21(18-17-14(7-9-24-17)19-12-20-18)10-13-11-22-15-5-3-4-6-16(15)23-13/h3-7,9,12-13H,2,8,10-11H2,1H3
InChIKeyIIPDBLIPGFKGJI-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.75
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 42951280) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
PubChem CID42951280
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCN(CC1COc2ccccc2O1)c1ncnc2ccsc12
InChIInChI=1S/C18H19N3O2S/c1-2-8-21(18-17-14(7-9-24-17)19-12-20-18)10-13-11-22-15-5-3-4-6-16(15)23-13/h3-7,9,12-13H,2,8,10-11H2,1H3
InChIKeyIIPDBLIPGFKGJI-UHFFFAOYSA-N
XLogP3.75
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6,7-dimethylquinazolin-4-amine
CID 154851427
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propylpyridine-2-carboxamide
CID 94332608
N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 63304405
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide;hydrochloride
CID 119268330
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-6-methylpyridin-2-amine
CID 133481795
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-5,6-dimethylpyridazin-3-amine
CID 133489254
N-piperidin-3-yl-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 63636486
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 64988585
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylpropanamide;hydrochloride
CID 119268328
ethane;3-ethyl-2,3-dihydro-1,4-benzodioxine
CID 54339181
3-cyclopropyl-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea
CID 7945176
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 42883799

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine (CID 42951280) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine is CCCN(CC1COc2ccccc2O1)c1ncnc2ccsc12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IIPDBLIPGFKGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-2-8-21(18-17-14(7-9-24-17)19-12-20-18)10-13-11-22-15-5-3-4-6-16(15)23-13/h3-7,9,12-13H,2,8,10-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 42951280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).