2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate

C13H22N6O3 — CID 3080163

IUPAC2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESCCCc1nc(NCCOC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3/c1-2-3-10-16-12(15-4-7-22-11(14)20)18-13(17-10)19-5-8-21-9-6-19/h2-9H2,1H3,(H2,14,20)(H,15,16,17,18)
InChIKeyIPFGANKJVCHCJU-UHFFFAOYSA-N
MW310.36 g/mol
LogP0.17
Rot. Bonds7

About 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate

2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate (PubChem CID 3080163) has the molecular formula C13H22N6O3 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
PubChem CID3080163
Molecular FormulaC13H22N6O3
Molecular Weight310.36 g/mol
Exact Mass310.18
IUPAC Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate
SMILESCCCc1nc(NCCOC(N)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O3/c1-2-3-10-16-12(15-4-7-22-11(14)20)18-13(17-10)19-5-8-21-9-6-19/h2-9H2,1H3,(H2,14,20)(H,15,16,17,18)
InChIKeyIPFGANKJVCHCJU-UHFFFAOYSA-N
XLogP0.17
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide
CID 3080135
2-[(4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83206301
4-chloro-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide;hydrochloride
CID 3080145
1-O-methyl 4-O-[2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethyl] butanedioate
CID 110178192
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
N-ethyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 34253082
(E)-4-[2-[[4-morpholin-4-yl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]ethoxy]-4-oxobut-2-enoic acid
CID 110178175
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 80769608

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate (CID 3080163) is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate is CCCc1nc(NCCOC(N)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
The InChIKey is IPFGANKJVCHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O3/c1-2-3-10-16-12(15-4-7-22-11(14)20)18-13(17-10)19-5-8-21-9-6-19/h2-9H2,1H3,(H2,14,20)(H,15,16,17,18).
What are the key properties of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate?
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate has a molecular weight of 310.36 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 3080163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).