ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine

C13H22N2S — CID 155686385

IUPACethane;2,4,6-trimethylthieno[2,3-d]pyrimidine
SMILESCC.CC.Cc1nc(C)c2cc(C)sc2n1
InChIInChI=1S/C9H10N2S.2C2H6/c1-5-4-8-6(2)10-7(3)11-9(8)12-5;2*1-2/h4H,1-3H3;2*1-2H3
InChIKeyCPALERXLRUJXBA-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.67
Rot. Bonds

About ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine

ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine (PubChem CID 155686385) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;2,4,6-trimethylthieno[2,3-d]pyrimidine
PubChem CID155686385
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Nameethane;2,4,6-trimethylthieno[2,3-d]pyrimidine
SMILESCC.CC.Cc1nc(C)c2cc(C)sc2n1
InChIInChI=1S/C9H10N2S.2C2H6/c1-5-4-8-6(2)10-7(3)11-9(8)12-5;2*1-2/h4H,1-3H3;2*1-2H3
InChIKeyCPALERXLRUJXBA-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
ethane;(2,4,6-trimethylthieno[2,3-b]pyridin-5-yl)methanol
CID 143804502
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
2,6-dimethyl-N-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45153512
N-[(2,4-dichlorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965637
N-[(4-fluorophenyl)methyl]-2,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4060721
4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde
CID 59606746
2,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91965651
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
methyl 4-[(2,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 35475308
2-(chloromethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 124706862
2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146504

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine?
The IUPAC name of ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine (CID 155686385) is ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine is CC.CC.Cc1nc(C)c2cc(C)sc2n1.
What is the InChIKey of ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine?
The InChIKey is CPALERXLRUJXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.2C2H6/c1-5-4-8-6(2)10-7(3)11-9(8)12-5;2*1-2/h4H,1-3H3;2*1-2H3.
What are the key properties of ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine?
ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine has a molecular weight of 238.40 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6-trimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 155686385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).