6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C17H21N5OS — CID 45279362

IUPAC6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1
InChIInChI=1S/C17H21N5OS/c1-10-4-3-5-11(2)22(10)9-12-8-13-15(18)19-16(20-17(13)24-12)14-6-7-23-21-14/h6-8,10-11H,3-5,9H2,1-2H3,(H2,18,19,20)/t10-,11+
InChIKeyFZSKZZJPMPFQAW-PHIMTYICSA-N
MW343.46 g/mol
LogP3.69
Rot. Bonds3

About 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45279362) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45279362
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1
InChIInChI=1S/C17H21N5OS/c1-10-4-3-5-11(2)22(10)9-12-8-13-15(18)19-16(20-17(13)24-12)14-6-7-23-21-14/h6-8,10-11H,3-5,9H2,1-2H3,(H2,18,19,20)/t10-,11+
InChIKeyFZSKZZJPMPFQAW-PHIMTYICSA-N
XLogP3.69
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 45279362) is 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is C[C@@H]1CCC[C@H](C)N1Cc1cc2c(N)nc(-c3ccon3)nc2s1.
What is the InChIKey of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FZSKZZJPMPFQAW-PHIMTYICSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-10-4-3-5-11(2)22(10)9-12-8-13-15(18)19-16(20-17(13)24-12)14-6-7-23-21-14/h6-8,10-11H,3-5,9H2,1-2H3,(H2,18,19,20)/t10-,11+.
What are the key properties of 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 343.46 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-(1,2-oxazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45279362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).