2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C11H21N5O2 — CID 173320300

IUPAC2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(NC(CC)CO)n1
InChIInChI=1S/C11H21N5O2/c1-3-8(5-17)14-10-12-7-13-11(16-10)15-9(4-2)6-18/h7-9,17-18H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyRWUYTXGEEVPDSH-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.24
Rot. Bonds8

About 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 173320300) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID173320300
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc(NC(CC)CO)n1
InChIInChI=1S/C11H21N5O2/c1-3-8(5-17)14-10-12-7-13-11(16-10)15-9(4-2)6-18/h7-9,17-18H,3-6H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyRWUYTXGEEVPDSH-UHFFFAOYSA-N
XLogP0.24
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Related Compounds

2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]butan-1-ol
CID 127002281
(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758274
2-[(4-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 112683347
2-[(5-methoxypyrimidin-2-yl)amino]butan-1-ol
CID 114600360
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]butan-1-ol
CID 103867388
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 173320300) is 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCC(CO)Nc1ncnc(NC(CC)CO)n1.
What is the InChIKey of 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is RWUYTXGEEVPDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-8(5-17)14-10-12-7-13-11(16-10)15-9(4-2)6-18/h7-9,17-18H,3-6H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 173320300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).