2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine

C13H18ClN3OS — CID 112750287

IUPAC2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCOCC(Nc1nc(Cl)nc2ccsc12)C(C)C
InChIInChI=1S/C13H18ClN3OS/c1-4-18-7-10(8(2)3)15-12-11-9(5-6-19-11)16-13(14)17-12/h5-6,8,10H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyMGAMOBIRTHPJQT-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.82
Rot. Bonds6

About 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine

2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 112750287) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID112750287
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCOCC(Nc1nc(Cl)nc2ccsc12)C(C)C
InChIInChI=1S/C13H18ClN3OS/c1-4-18-7-10(8(2)3)15-12-11-9(5-6-19-11)16-13(14)17-12/h5-6,8,10H,4,7H2,1-3H3,(H,15,16,17)
InChIKeyMGAMOBIRTHPJQT-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine (CID 112750287) is 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine is CCOCC(Nc1nc(Cl)nc2ccsc12)C(C)C.
What is the InChIKey of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is MGAMOBIRTHPJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-4-18-7-10(8(2)3)15-12-11-9(5-6-19-11)16-13(14)17-12/h5-6,8,10H,4,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 299.83 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 112750287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).