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

C14H17N5OS — CID 133355761

IUPAC6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)c3noc(C)n3)ncnc2s1
InChIInChI=1S/C14H17N5OS/c1-4-9-6-10-12(15-7-16-14(10)21-9)18-11(5-2)13-17-8(3)20-19-13/h6-7,11H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyITJLBRHNBXQWMH-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.51
Rot. Bonds5

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

6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133355761) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133355761
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(CC)c3noc(C)n3)ncnc2s1
InChIInChI=1S/C14H17N5OS/c1-4-9-6-10-12(15-7-16-14(10)21-9)18-11(5-2)13-17-8(3)20-19-13/h6-7,11H,4-5H2,1-3H3,(H,15,16,18)
InChIKeyITJLBRHNBXQWMH-UHFFFAOYSA-N
XLogP3.51
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133355640
N-(1-chlorobutan-2-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65027345
2-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 65192081
(2R,3R)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylpentanamide
CID 96996419
methyl 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 62005776
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078329
ethyl 3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate
CID 133363399
1-cyclopropyl-N-(6-ethylthieno[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 65189090
N-(3-chlorobutyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 65028734
2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 155339418
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133477608
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 650309

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine (CID 133355761) is 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(CC)c3noc(C)n3)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ITJLBRHNBXQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-4-9-6-10-12(15-7-16-14(10)21-9)18-11(5-2)13-17-8(3)20-19-13/h6-7,11H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133355761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).