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

C14H25N5O2 — CID 3080121

IUPAC1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol
SMILESCCCc1nc(NCC(O)CC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-10-11(20)4-2)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyVSAHQVRDIGGWQA-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.84
Rot. Bonds7

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

1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol (PubChem CID 3080121) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol
PubChem CID3080121
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol
SMILESCCCc1nc(NCC(O)CC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-10-11(20)4-2)18-14(17-12)19-6-8-21-9-7-19/h11,20H,3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyVSAHQVRDIGGWQA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The IUPAC name of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol (CID 3080121) is 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol is CCCc1nc(NCC(O)CC)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol?
The InChIKey is VSAHQVRDIGGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-5-12-16-13(15-10-11(20)4-2)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 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol?
1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-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 1-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]butan-2-ol is sourced from PubChem (CID 3080121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).