2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

C15H22N4OS — CID 104960510

IUPAC2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2C[C@@H](C)O[C@@H](C)C2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-4-16-14-12-5-6-21-15(12)18-13(17-14)9-19-7-10(2)20-11(3)8-19/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,17,18)/t10-,11+
InChIKeyUDGHRQXCBZBKLG-PHIMTYICSA-N
MW306.44 g/mol
LogP2.73
Rot. Bonds4

About 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 104960510) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID104960510
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2C[C@@H](C)O[C@@H](C)C2)nc2sccc12
InChIInChI=1S/C15H22N4OS/c1-4-16-14-12-5-6-21-15(12)18-13(17-14)9-19-7-10(2)20-11(3)8-19/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,17,18)/t10-,11+
InChIKeyUDGHRQXCBZBKLG-PHIMTYICSA-N
XLogP2.73
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2,6-dimethylmorpholine
CID 62187399
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62207342
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114539498

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 104960510) is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2C[C@@H](C)O[C@@H](C)C2)nc2sccc12.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UDGHRQXCBZBKLG-PHIMTYICSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-4-16-14-12-5-6-21-15(12)18-13(17-14)9-19-7-10(2)20-11(3)8-19/h5-6,10-11H,4,7-9H2,1-3H3,(H,16,17,18)/t10-,11+.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 306.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104960510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).