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

C14H25N5O2 — CID 3080122

IUPAC2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCc1nc(NC(CC)CO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-11(4-2)10-20)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyMBNBUAHXICKSKC-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.84
Rot. Bonds7

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

2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol (PubChem CID 3080122) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
PubChem CID3080122
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol
SMILESCCCc1nc(NC(CC)CO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-11(4-2)10-20)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyMBNBUAHXICKSKC-UHFFFAOYSA-N
XLogP0.84
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol 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
Ethanol, 2-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-, acetate (ester)
CID 3080158
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
1,2-Propanediol, 3-((4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)amino)-
CID 158978
1,3,5-Triazin-2-amine, 4-methoxy-6-(2-(4-morpholinyl)ethyl)-
CID 199953

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol (CID 3080122) is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol is CCCc1nc(NC(CC)CO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol?
The InChIKey is MBNBUAHXICKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-11(4-2)10-20)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(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]butan-1-ol?
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]butan-1-ol is sourced from PubChem (CID 3080122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).