N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride

C13H22ClN5O2 — CID 3080169

IUPACN-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N(C)C(C)=O)n1.Cl
InChIInChI=1S/C13H21N5O2.ClH/c1-4-5-11-14-12(17(3)10(2)19)16-13(15-11)18-6-8-20-9-7-18;/h4-9H2,1-3H3;1H
InChIKeyGJNULCJYGPDBFI-UHFFFAOYSA-N
MW315.81 g/mol
LogP1.07
Rot. Bonds4

About N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride

N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride (PubChem CID 3080169) has the molecular formula C13H22ClN5O2 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
PubChem CID3080169
Molecular FormulaC13H22ClN5O2
Molecular Weight315.81 g/mol
Exact Mass315.15
IUPAC NameN-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride
SMILESCCCc1nc(N2CCOCC2)nc(N(C)C(C)=O)n1.Cl
InChIInChI=1S/C13H21N5O2.ClH/c1-4-5-11-14-12(17(3)10(2)19)16-13(15-11)18-6-8-20-9-7-18;/h4-9H2,1-3H3;1H
InChIKeyGJNULCJYGPDBFI-UHFFFAOYSA-N
XLogP1.07
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2(1H)-one, 4-(4-morpholinyl)-6-propyl-, oxime
CID 3080117
Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080135
Urea, N,N-dimethyl-N'-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080162
Acetamide, N-(2-(acetyloxy)ethyl)-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080164
1,3,5-Triazin-2-amine, 4-(4-morpholinyl)-6-propyl-, monohydrochloride
CID 3080165
1,3,5-Triazin-2-amine, N-methyl-4-(4-morpholinyl)-6-propyl-, monohydrochloride
CID 3080167
1,3,5-Triazin-2-amine, N-(2-methoxyethyl)-4-(4-morpholinyl)-6-propyl-
CID 3080171
1,3,5-Triazine, 2-ethyl-4-methoxy-6-(4-morpholinyl)-
CID 199903
1,3,5-Triazin-2-amine, 4-methoxy-6-(2-(4-morpholinyl)ethyl)-
CID 199953
Ethanol, 2-(methyl(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080124
Propanamide, 2-methyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080139
Acetamide, N-methyl-N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080140

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride (CID 3080169) is N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride is CCCc1nc(N2CCOCC2)nc(N(C)C(C)=O)n1.Cl.
What is the InChIKey of N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
The InChIKey is GJNULCJYGPDBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2.ClH/c1-4-5-11-14-12(17(3)10(2)19)16-13(15-11)18-6-8-20-9-7-18;/h4-9H2,1-3H3;1H.
What are the key properties of N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride?
N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride has a molecular weight of 315.81 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 3080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).