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

C13H17N3O2S — CID 65351822

IUPAC2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2COCCO2)nc2sc(C)c(C)c12
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-13-10(7)12(14-3)15-11(16-13)9-6-17-4-5-18-9/h9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyXQXICRDVDKWDCQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.44
Rot. Bonds2

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

2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65351822) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65351822
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2COCCO2)nc2sc(C)c(C)c12
InChIInChI=1S/C13H17N3O2S/c1-7-8(2)19-13-10(7)12(14-3)15-11(16-13)9-6-17-4-5-18-9/h9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyXQXICRDVDKWDCQ-UHFFFAOYSA-N
XLogP2.44
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65391851
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-methylpyrimidin-4-amine
CID 66305819
4-chloro-2-(1,4-dioxan-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 65353789
2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 65351825
[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63558704
(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 62250283
(2-cycloheptyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 65399665
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987762
2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 65351630
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 65351822) is 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(C2COCCO2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XQXICRDVDKWDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-7-8(2)19-13-10(7)12(14-3)15-11(16-13)9-6-17-4-5-18-9/h9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65351822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).