1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine

C15H21N3OS — CID 64572973

IUPAC1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
SMILESCCc1cc2c(OCC3(N)CCCCC3)ncnc2s1
InChIInChI=1S/C15H21N3OS/c1-2-11-8-12-13(17-10-18-14(12)20-11)19-9-15(16)6-4-3-5-7-15/h8,10H,2-7,9,16H2,1H3
InChIKeyPFCDEEJGZYFXAS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.29
Rot. Bonds4

About 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine

1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine (PubChem CID 64572973) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
PubChem CID64572973
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine
SMILESCCc1cc2c(OCC3(N)CCCCC3)ncnc2s1
InChIInChI=1S/C15H21N3OS/c1-2-11-8-12-13(17-10-18-14(12)20-11)19-9-15(16)6-4-3-5-7-15/h8,10H,2-7,9,16H2,1H3
InChIKeyPFCDEEJGZYFXAS-UHFFFAOYSA-N
XLogP3.29
TPSA61.03 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The IUPAC name of 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine (CID 64572973) is 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine is CCc1cc2c(OCC3(N)CCCCC3)ncnc2s1.
What is the InChIKey of 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
The InChIKey is PFCDEEJGZYFXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-2-11-8-12-13(17-10-18-14(12)20-11)19-9-15(16)6-4-3-5-7-15/h8,10H,2-7,9,16H2,1H3.
What are the key properties of 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine?
1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]cyclohexan-1-amine is sourced from PubChem (CID 64572973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).