N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C20H24N4OS — CID 73053622

IUPACN-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)sc1ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C20H24N4OS/c1-2-4-17-16(3-1)18-19(21-13-22-20(18)26-17)23-14-5-7-15(8-6-14)24-9-11-25-12-10-24/h1-4,13-15H,5-12H2,(H,21,22,23)
InChIKeyHADKMORLDJRRSK-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.90
Rot. Bonds3

About N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine

N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 73053622) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID73053622
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc2c(c1)sc1ncnc(NC3CCC(N4CCOCC4)CC3)c12
InChIInChI=1S/C20H24N4OS/c1-2-4-17-16(3-1)18-19(21-13-22-20(18)26-17)23-14-5-7-15(8-6-14)24-9-11-25-12-10-24/h1-4,13-15H,5-12H2,(H,21,22,23)
InChIKeyHADKMORLDJRRSK-UHFFFAOYSA-N
XLogP3.90
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 73053622) is N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine is c1ccc2c(c1)sc1ncnc(NC3CCC(N4CCOCC4)CC3)c12.
What is the InChIKey of N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HADKMORLDJRRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-4-17-16(3-1)18-19(21-13-22-20(18)26-17)23-14-5-7-15(8-6-14)24-9-11-25-12-10-24/h1-4,13-15H,5-12H2,(H,21,22,23).
What are the key properties of N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylcyclohexyl)-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 73053622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).