2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C17H25N7O — CID 822532

IUPAC2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N7O/c1-17(2,3)23-15-20-14(19-12-13-5-4-6-18-11-13)21-16(22-15)24-7-9-25-10-8-24/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyHNERVRIXTNRASB-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.93
Rot. Bonds5

About 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 822532) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID822532
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N7O/c1-17(2,3)23-15-20-14(19-12-13-5-4-6-18-11-13)21-16(22-15)24-7-9-25-10-8-24/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21,22,23)
InChIKeyHNERVRIXTNRASB-UHFFFAOYSA-N
XLogP1.93
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-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-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 822532) is 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HNERVRIXTNRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-17(2,3)23-15-20-14(19-12-13-5-4-6-18-11-13)21-16(22-15)24-7-9-25-10-8-24/h4-6,11H,7-10,12H2,1-3H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 343.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 822532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).