5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C16H19N5O2S — CID 97200942

IUPAC5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCc3noc([C@H]4CCCO4)n3)c2c1C
InChIInChI=1S/C16H19N5O2S/c1-9-10(2)24-16-13(9)14(18-8-19-16)17-6-5-12-20-15(23-21-12)11-4-3-7-22-11/h8,11H,3-7H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyQZSKFISXZYEJNZ-LLVKDONJSA-N
MW345.43 g/mol
LogP3.20
Rot. Bonds5

About 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 97200942) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID97200942
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCc3noc([C@H]4CCCO4)n3)c2c1C
InChIInChI=1S/C16H19N5O2S/c1-9-10(2)24-16-13(9)14(18-8-19-16)17-6-5-12-20-15(23-21-12)11-4-3-7-22-11/h8,11H,3-7H2,1-2H3,(H,17,18,19)/t11-/m1/s1
InChIKeyQZSKFISXZYEJNZ-LLVKDONJSA-N
XLogP3.20
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138382185
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 75357573
1,3-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97436789
4-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72940735
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
5,6-dimethyl-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60902999
N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 78814524
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
5,6-dimethyl-N-(2-methyloxan-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103887301
6-cyano-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 90652722
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866898
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 724915

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 97200942) is 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCc3noc([C@H]4CCCO4)n3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QZSKFISXZYEJNZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9-10(2)24-16-13(9)14(18-8-19-16)17-6-5-12-20-15(23-21-12)11-4-3-7-22-11/h8,11H,3-7H2,1-2H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 345.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 97200942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).