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

C17H17N3O2S — CID 757230

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H17N3O2S/c1-9-10(2)23-17-15(9)16(18-11(3)19-17)20-12-4-5-13-14(8-12)22-7-6-21-13/h4-5,8H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyYMYWEYZGHUYDFZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.13
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 757230) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID757230
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H17N3O2S/c1-9-10(2)23-17-15(9)16(18-11(3)19-17)20-12-4-5-13-14(8-12)22-7-6-21-13/h4-5,8H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyYMYWEYZGHUYDFZ-UHFFFAOYSA-N
XLogP4.13
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2503621
AG-F-87638
CID 5253159
[2-(2-Amino-ethyl)-6,7-diethoxy-quinazolin-4-yl]-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10182347
(6,7-Diethoxy-2-methyl-quinazolin-4-yl)-[3-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10194617
N-(4-methoxyphenyl)-N,2,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine
CID 16667011
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1442414
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1442514
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2099941
4-(4-Methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
CID 2378150
N-(3,4-dimethoxyphenyl)-6-phenyl-4-thieno[2,3-d]pyrimidinamine
CID 2494828
2-Methoxy-5-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]phenol
CID 2537842
5-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2949992

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 757230) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(Nc2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YMYWEYZGHUYDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-9-10(2)23-17-15(9)16(18-11(3)19-17)20-12-4-5-13-14(8-12)22-7-6-21-13/h4-5,8H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.41 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 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-yl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 757230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).