4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine

C15H26N4S — CID 106445474

IUPAC4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CSCCN1C
InChIInChI=1S/C15H26N4S/c1-3-5-17-13(14-11-20-8-7-19(14)2)9-12-4-6-18-15(16)10-12/h4,6,10,13-14,17H,3,5,7-9,11H2,1-2H3,(H2,16,18)
InChIKeyBONRXJCQOBKAKR-UHFFFAOYSA-N
MW294.47 g/mol
LogP1.62
Rot. Bonds6

About 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine

4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 106445474) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID106445474
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)C1CSCCN1C
InChIInChI=1S/C15H26N4S/c1-3-5-17-13(14-11-20-8-7-19(14)2)9-12-4-6-18-15(16)10-12/h4,6,10,13-14,17H,3,5,7-9,11H2,1-2H3,(H2,16,18)
InChIKeyBONRXJCQOBKAKR-UHFFFAOYSA-N
XLogP1.62
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
N-[2-(3-methylphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445416
4-[2-(3-ethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115388156
N-[1-(4-methylthiomorpholin-3-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 106445389
2-(3,4-dichlorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445261
4-[2-(5,6-dimethyl-1,4-dithian-2-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 103346418
2-(3,4-dimethylphenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445245
N-[2-(2,4-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445370
N-[2-(2,6-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445518
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445375
4-[2-(1,1-dioxothiolan-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115337065
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine (CID 106445474) is 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)C1CSCCN1C.
What is the InChIKey of 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is BONRXJCQOBKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-5-17-13(14-11-20-8-7-19(14)2)9-12-4-6-18-15(16)10-12/h4,6,10,13-14,17H,3,5,7-9,11H2,1-2H3,(H2,16,18).
What are the key properties of 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 294.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 106445474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).