N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C18H19N3O2S — CID 9196022

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2c1C
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-20-18)21(3)9-13-4-5-14-15(8-13)23-7-6-22-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyQYGPISKVELDZTQ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.72
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 9196022) 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-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID9196022
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2c1C
InChIInChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-20-18)21(3)9-13-4-5-14-15(8-13)23-7-6-22-14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyQYGPISKVELDZTQ-UHFFFAOYSA-N
XLogP3.72
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24679695
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 86776236
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpyrido[2,3-d]pyrimidin-4-amine
CID 155975046
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
5-bromo-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]pyridine-3-carbonitrile
CID 155976166
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
CID 138030516
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 163344652
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]butanoate
CID 62004622
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3802517

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 9196022) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)Cc3ccc4c(c3)OCCO4)c2c1C.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QYGPISKVELDZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11-12(2)24-18-16(11)17(19-10-20-18)21(3)9-13-4-5-14-15(8-13)23-7-6-22-14/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 341.44 g/mol, XLogP of 3.72, 3 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-6-ylmethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 9196022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).