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

C12H17N3OS — CID 62193496

IUPAC2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NC)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-5-16-6-9-14-11(13-4)10-7(2)8(3)17-12(10)15-9/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyXTKMMVYEETWTBW-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.89
Rot. Bonds4

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

2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193496) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62193496
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCc1nc(NC)c2c(C)c(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-5-16-6-9-14-11(13-4)10-7(2)8(3)17-12(10)15-9/h5-6H2,1-4H3,(H,13,14,15)
InChIKeyXTKMMVYEETWTBW-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 81062922
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
2-[[ethyl(propan-2-yl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62183070
[5,6-dimethyl-2-(propan-2-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62246778
N,5,6-trimethyl-2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62502874
2-[[3-methoxypropyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63007916
2-(butoxymethyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43267662
2-ethyl-N-(4-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965406
5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55044935
4-chloro-5,6-dimethyl-2-(pentoxymethyl)thieno[2,3-d]pyrimidine
CID 43275113
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 62193496) is 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is CCOCc1nc(NC)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XTKMMVYEETWTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-16-6-9-14-11(13-4)10-7(2)8(3)17-12(10)15-9/h5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).