7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

C17H24N4OS — CID 2922119

IUPAC7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1
InChIInChI=1S/C17H24N4OS/c1-12-2-3-13-14(10-12)23-17-15(13)16(19-11-20-17)18-4-5-21-6-8-22-9-7-21/h11-12H,2-10H2,1H3,(H,18,19,20)
InChIKeyFDLNQLMGCVOTAT-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.56
Rot. Bonds4

About 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 2922119) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID2922119
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1
InChIInChI=1S/C17H24N4OS/c1-12-2-3-13-14(10-12)23-17-15(13)16(19-11-20-17)18-4-5-21-6-8-22-9-7-21/h11-12H,2-10H2,1H3,(H,18,19,20)
InChIKeyFDLNQLMGCVOTAT-UHFFFAOYSA-N
XLogP2.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 2922119) is 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1.
What is the InChIKey of 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FDLNQLMGCVOTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-2-3-13-14(10-12)23-17-15(13)16(19-11-20-17)18-4-5-21-6-8-22-9-7-21/h11-12H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2922119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).