4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

C15H22N4S — CID 103323872

IUPAC4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCCCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-3-16-15-17-13(19-8-6-4-5-7-9-19)12-10-11(2)20-14(12)18-15/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyGZCKAXGPXVGTKT-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.81
Rot. Bonds3

About 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103323872) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103323872
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCCCCC2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4S/c1-3-16-15-17-13(19-8-6-4-5-7-9-19)12-10-11(2)20-14(12)18-15/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyGZCKAXGPXVGTKT-UHFFFAOYSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103323872) is 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCCCCC2)c2cc(C)sc2n1.
What is the InChIKey of 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is GZCKAXGPXVGTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-16-15-17-13(19-8-6-4-5-7-9-19)12-10-11(2)20-14(12)18-15/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 290.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103323872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).