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

C19H28N4OS — CID 155518805

IUPACN,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H28N4OS/c1-3-23(4-2)18-17-14-7-5-6-8-15(14)25-19(17)21-16(20-18)13-22-9-11-24-12-10-22/h3-13H2,1-2H3
InChIKeyUMBDYQKURBMPDQ-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.25
Rot. Bonds5

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

N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (PubChem CID 155518805) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
PubChem CID155518805
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
SMILESCCN(CC)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C19H28N4OS/c1-3-23(4-2)18-17-14-7-5-6-8-15(14)25-19(17)21-16(20-18)13-22-9-11-24-12-10-22/h3-13H2,1-2H3
InChIKeyUMBDYQKURBMPDQ-UHFFFAOYSA-N
XLogP3.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine (CID 155518805) is N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is CCN(CC)c1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3.
What is the InChIKey of N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UMBDYQKURBMPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-3-23(4-2)18-17-14-7-5-6-8-15(14)25-19(17)21-16(20-18)13-22-9-11-24-12-10-22/h3-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine?
N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155518805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).