3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol

C16H23N3OS — CID 133497854

IUPAC3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
SMILESCCC1(O)CN(c2nc(C)nc3scc(CC(C)C)c23)C1
InChIInChI=1S/C16H23N3OS/c1-5-16(20)8-19(9-16)14-13-12(6-10(2)3)7-21-15(13)18-11(4)17-14/h7,10,20H,5-6,8-9H2,1-4H3
InChIKeyUOWFWDFORDLDLF-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.16
Rot. Bonds4

About 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol

3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol (PubChem CID 133497854) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
PubChem CID133497854
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol
SMILESCCC1(O)CN(c2nc(C)nc3scc(CC(C)C)c23)C1
InChIInChI=1S/C16H23N3OS/c1-5-16(20)8-19(9-16)14-13-12(6-10(2)3)7-21-15(13)18-11(4)17-14/h7,10,20H,5-6,8-9H2,1-4H3
InChIKeyUOWFWDFORDLDLF-UHFFFAOYSA-N
XLogP3.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol (CID 133497854) is 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol is CCC1(O)CN(c2nc(C)nc3scc(CC(C)C)c23)C1.
What is the InChIKey of 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is UOWFWDFORDLDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-16(20)8-19(9-16)14-13-12(6-10(2)3)7-21-15(13)18-11(4)17-14/h7,10,20H,5-6,8-9H2,1-4H3.
What are the key properties of 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol?
3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 305.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 133497854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).