2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

C11H20ClN5O2 — CID 10708587

IUPAC2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(NC(CC)CO)n1
InChIInChI=1S/C11H20ClN5O2/c1-3-7(5-18)13-10-15-9(12)16-11(17-10)14-8(4-2)6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyYOHXLFOOJVMMTG-UHFFFAOYSA-N
MW289.77 g/mol
LogP0.89
Rot. Bonds8

About 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol

2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (PubChem CID 10708587) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
PubChem CID10708587
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(Cl)nc(NC(CC)CO)n1
InChIInChI=1S/C11H20ClN5O2/c1-3-7(5-18)13-10-15-9(12)16-11(17-10)14-8(4-2)6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyYOHXLFOOJVMMTG-UHFFFAOYSA-N
XLogP0.89
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012
2-[[4-chloro-6-(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 102396474
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
4,6-dichloro-N-hexan-3-yl-1,3,5-triazin-2-amine
CID 62869584
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 62863509
2-[[4,6-bis(1,3-dihydroxypropan-2-ylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 90392504
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
(2S)-2-[[4-(cyclohexylamino)-6-[[(2R)-1-hydroxybutan-2-yl]amino]-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 23758274
2-[(2-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726838
2-[[4-chloro-6-(3-chloro-4-methylanilino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 58799107
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol (CID 10708587) is 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is CCC(CO)Nc1nc(Cl)nc(NC(CC)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
The InChIKey is YOHXLFOOJVMMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2/c1-3-7(5-18)13-10-15-9(12)16-11(17-10)14-8(4-2)6-19/h7-8,18-19H,3-6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol?
2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol has a molecular weight of 289.77 g/mol, XLogP of 0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 10708587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).