2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C19H37N7O — CID 117081620

IUPAC2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H37N7O/c1-7-24(8-2)18-21-17(20-9-10-26(15(3)4)16(5)6)22-19(23-18)25-11-13-27-14-12-25/h15-16H,7-14H2,1-6H3,(H,20,21,22,23)
InChIKeyYSHXTJHHMWODAR-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.09
Rot. Bonds10

About 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 117081620) has the molecular formula C19H37N7O and a molecular weight of 379.55 g/mol. Its IUPAC name is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID117081620
Molecular FormulaC19H37N7O
Molecular Weight379.55 g/mol
Exact Mass379.31
IUPAC Name2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H37N7O/c1-7-24(8-2)18-21-17(20-9-10-26(15(3)4)16(5)6)22-19(23-18)25-11-13-27-14-12-25/h15-16H,7-14H2,1-6H3,(H,20,21,22,23)
InChIKeyYSHXTJHHMWODAR-UHFFFAOYSA-N
XLogP2.09
TPSA69.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-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 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 117081620) is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YSHXTJHHMWODAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O/c1-7-24(8-2)18-21-17(20-9-10-26(15(3)4)16(5)6)22-19(23-18)25-11-13-27-14-12-25/h15-16H,7-14H2,1-6H3,(H,20,21,22,23).
What are the key properties of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 379.55 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117081620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).