(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol

C17H32N6O2 — CID 23758274

IUPAC(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NC2CCCCC2)nc(N[C@@H](CC)CO)n1
InChIInChI=1S/C17H32N6O2/c1-3-12(10-24)18-15-21-16(19-13(4-2)11-25)23-17(22-15)20-14-8-6-5-7-9-14/h12-14,24-25H,3-11H2,1-2H3,(H3,18,19,20,21,22,23)/t12-,13+
InChIKeyKSIYVDLDVFNAHZ-BETUJISGSA-N
MW352.48 g/mol
LogP1.98
Rot. Bonds10

About (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol

(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 23758274) has the molecular formula C17H32N6O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID23758274
Molecular FormulaC17H32N6O2
Molecular Weight352.48 g/mol
Exact Mass352.26
IUPAC Name(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(NC2CCCCC2)nc(N[C@@H](CC)CO)n1
InChIInChI=1S/C17H32N6O2/c1-3-12(10-24)18-15-21-16(19-13(4-2)11-25)23-17(22-15)20-14-8-6-5-7-9-14/h12-14,24-25H,3-11H2,1-2H3,(H3,18,19,20,21,22,23)/t12-,13+
InChIKeyKSIYVDLDVFNAHZ-BETUJISGSA-N
XLogP1.98
TPSA115.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 51.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[4-(3-methylbutylamino)-6-[(4-methylcyclohexyl)amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23787453
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 10708587
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine
CID 166860176
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
CID 112883736
4-N-cyclopentyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 13241553
6-cycloheptyl-4-N-cyclononyl-2-N-cyclooctyl-1,3,5-triazine-2,4-diamine
CID 155016951
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
4-[[4-(1-aminohexan-3-ylamino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]amino]-2-chlorophenol
CID 142876026
2-N-cyclooctyl-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80771583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 23758274) is (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(NC2CCCCC2)nc(N[C@@H](CC)CO)n1.
What is the InChIKey of (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is KSIYVDLDVFNAHZ-BETUJISGSA-N. The full InChI is InChI=1S/C17H32N6O2/c1-3-12(10-24)18-15-21-16(19-13(4-2)11-25)23-17(22-15)20-14-8-6-5-7-9-14/h12-14,24-25H,3-11H2,1-2H3,(H3,18,19,20,21,22,23)/t12-,13+.
What are the key properties of (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol?
(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 352.48 g/mol, XLogP of 1.98, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 23758274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).