3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

C13H15ClN4OS — CID 103321662

IUPAC3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C13H15ClN4OS/c1-9-8-10-11(16-13(14)17-12(10)20-9)18(5-3-4-15)6-7-19-2/h8H,3,5-7H2,1-2H3
InChIKeyIQNABIIZVCOBQQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.02
Rot. Bonds6

About 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 103321662) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID103321662
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C13H15ClN4OS/c1-9-8-10-11(16-13(14)17-12(10)20-9)18(5-3-4-15)6-7-19-2/h8H,3,5-7H2,1-2H3
InChIKeyIQNABIIZVCOBQQ-UHFFFAOYSA-N
XLogP3.02
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (CID 103321662) is 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is IQNABIIZVCOBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-9-8-10-11(16-13(14)17-12(10)20-9)18(5-3-4-15)6-7-19-2/h8H,3,5-7H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 310.81 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 103321662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).