N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C15H24N4S — CID 62585499

IUPACN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C15H24N4S/c1-6-19(8-7-16-10(2)3)14-13-11(4)12(5)20-15(13)18-9-17-14/h9-10,16H,6-8H2,1-5H3
InChIKeyVBUSBSHJIUWFFM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.13
Rot. Bonds6

About N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62585499) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62585499
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C15H24N4S/c1-6-19(8-7-16-10(2)3)14-13-11(4)12(5)20-15(13)18-9-17-14/h9-10,16H,6-8H2,1-5H3
InChIKeyVBUSBSHJIUWFFM-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 62585499) is N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1ncnc2sc(C)c(C)c12.
What is the InChIKey of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is VBUSBSHJIUWFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-19(8-7-16-10(2)3)14-13-11(4)12(5)20-15(13)18-9-17-14/h9-10,16H,6-8H2,1-5H3.
What are the key properties of N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).