2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H21N3OS — CID 62189947

IUPAC2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COC2CCCCCC2)nc2sccc12
InChIInChI=1S/C15H21N3OS/c1-16-14-12-8-9-20-15(12)18-13(17-14)10-19-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17,18)
InChIKeyJBTAGEBJHKZOME-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.97
Rot. Bonds4

About 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189947) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62189947
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(COC2CCCCCC2)nc2sccc12
InChIInChI=1S/C15H21N3OS/c1-16-14-12-8-9-20-15(12)18-13(17-14)10-19-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17,18)
InChIKeyJBTAGEBJHKZOME-UHFFFAOYSA-N
XLogP3.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62189947) is 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(COC2CCCCCC2)nc2sccc12.
What is the InChIKey of 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JBTAGEBJHKZOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-16-14-12-8-9-20-15(12)18-13(17-14)10-19-11-6-4-2-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,17,18).
What are the key properties of 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).