phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate

C17H21N5O3 — CID 3080144

IUPACphenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate
SMILESCCCc1nc(NC(=O)Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O3/c1-2-6-14-18-15(20-16(19-14)22-9-11-24-12-10-22)21-17(23)25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23)
InChIKeyILRLHUZRLDCWCU-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.27
Rot. Bonds5

About phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate

phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate (PubChem CID 3080144) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate
PubChem CID3080144
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namephenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate
SMILESCCCc1nc(NC(=O)Oc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O3/c1-2-6-14-18-15(20-16(19-14)22-9-11-24-12-10-22)21-17(23)25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23)
InChIKeyILRLHUZRLDCWCU-UHFFFAOYSA-N
XLogP2.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate 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 phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate (CID 3080144) is phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate is CCCc1nc(NC(=O)Oc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate?
The InChIKey is ILRLHUZRLDCWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-6-14-18-15(20-16(19-14)22-9-11-24-12-10-22)21-17(23)25-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,20,21,23).
What are the key properties of phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate?
phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate has a molecular weight of 343.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 3080144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).