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

C13H17N3OS — CID 79465530

IUPAC3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCc1cc2c(OC3CCCC(N)C3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-8-5-11-12(15-7-16-13(11)18-8)17-10-4-2-3-9(14)6-10/h5,7,9-10H,2-4,6,14H2,1H3
InChIKeyHIUDXMSPTPYMOF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.65
Rot. Bonds2

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

3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine (PubChem CID 79465530) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
PubChem CID79465530
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
SMILESCc1cc2c(OC3CCCC(N)C3)ncnc2s1
InChIInChI=1S/C13H17N3OS/c1-8-5-11-12(15-7-16-13(11)18-8)17-10-4-2-3-9(14)6-10/h5,7,9-10H,2-4,6,14H2,1H3
InChIKeyHIUDXMSPTPYMOF-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine?
The IUPAC name of 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine (CID 79465530) is 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine?
The canonical SMILES for 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine is Cc1cc2c(OC3CCCC(N)C3)ncnc2s1.
What is the InChIKey of 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine?
The InChIKey is HIUDXMSPTPYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-5-11-12(15-7-16-13(11)18-8)17-10-4-2-3-9(14)6-10/h5,7,9-10H,2-4,6,14H2,1H3.
What are the key properties of 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine?
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 79465530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).