4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline

C16H21N5O2 — CID 67021898

IUPAC4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline
SMILESCC(C)Oc1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)23-16-19-14(12-3-5-13(17)6-4-12)18-15(20-16)21-7-9-22-10-8-21/h3-6,11H,7-10,17H2,1-2H3
InChIKeyKMPMNQVBANNCIA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds4

About 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline

4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline (PubChem CID 67021898) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline
PubChem CID67021898
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline
SMILESCC(C)Oc1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H21N5O2/c1-11(2)23-16-19-14(12-3-5-13(17)6-4-12)18-15(20-16)21-7-9-22-10-8-21/h3-6,11H,7-10,17H2,1-2H3
InChIKeyKMPMNQVBANNCIA-UHFFFAOYSA-N
XLogP1.74
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline 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 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline?
The IUPAC name of 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline (CID 67021898) is 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline?
The canonical SMILES for 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline is CC(C)Oc1nc(-c2ccc(N)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline?
The InChIKey is KMPMNQVBANNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)23-16-19-14(12-3-5-13(17)6-4-12)18-15(20-16)21-7-9-22-10-8-21/h3-6,11H,7-10,17H2,1-2H3.
What are the key properties of 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline?
4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline has a molecular weight of 315.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 67021898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).