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

C14H25N5O2 — CID 3080123

IUPAC2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCCc1nc(NC(C)(C)CO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-4-5-11-15-12(18-14(2,3)10-20)17-13(16-11)19-6-8-21-9-7-19/h20H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyRABDJVWUSJQLIW-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.84
Rot. Bonds6

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

2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 3080123) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID3080123
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCCc1nc(NC(C)(C)CO)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-4-5-11-15-12(18-14(2,3)10-20)17-13(16-11)19-6-8-21-9-7-19/h20H,4-10H2,1-3H3,(H,15,16,17,18)
InChIKeyRABDJVWUSJQLIW-UHFFFAOYSA-N
XLogP0.84
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 3080123) is 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol is CCCc1nc(NC(C)(C)CO)nc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is RABDJVWUSJQLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-4-5-11-15-12(18-14(2,3)10-20)17-13(16-11)19-6-8-21-9-7-19/h20H,4-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 3080123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).