1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea

C13H22N6O2 — CID 3080162

IUPAC1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea
SMILESCCCc1nc(NC(=O)N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2/c1-4-5-10-14-11(17-13(20)18(2)3)16-12(15-10)19-6-8-21-9-7-19/h4-9H2,1-3H3,(H,14,15,16,17,20)
InChIKeyYEFBYCDRWIBCPG-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.75
Rot. Bonds4

About 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea

1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea (PubChem CID 3080162) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea
PubChem CID3080162
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea
SMILESCCCc1nc(NC(=O)N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H22N6O2/c1-4-5-10-14-11(17-13(20)18(2)3)16-12(15-10)19-6-8-21-9-7-19/h4-9H2,1-3H3,(H,14,15,16,17,20)
InChIKeyYEFBYCDRWIBCPG-UHFFFAOYSA-N
XLogP0.75
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea with MolForge

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Launch Full Analysis

Related Compounds

2-(4-Morpholino-6-propyl-1,3,5-triazin-2-yl)aminoethanol
CID 130928
N-Cyclopropyl-6-(morpholin-4-yl)-4-propyl-1,3,5-triazin-2(1H)-imine
CID 192460
1,3,5-Triazin-2(1H)-one, 4-(4-morpholinyl)-6-propyl-, oxime
CID 3080117
2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 3080120
2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, (S)-
CID 3080129
2-Propanol, 1-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, (R)-
CID 3080130
1,3,5-Triazin-2(1H)-one, 4-(4-morpholinyl)-6-propyl-, dimethylhydrazone
CID 3080134
Acetamide, N-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-
CID 3080135
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, acetate (ester)
CID 3080158
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, carbamate (ester)
CID 3080163
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

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea (CID 3080162) is 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea is CCCc1nc(NC(=O)N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea?
The InChIKey is YEFBYCDRWIBCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-4-5-10-14-11(17-13(20)18(2)3)16-12(15-10)19-6-8-21-9-7-19/h4-9H2,1-3H3,(H,14,15,16,17,20).
What are the key properties of 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea?
1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea has a molecular weight of 294.36 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)urea is sourced from PubChem (CID 3080162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).