2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C9H16ClN5O2 — CID 22333149

IUPAC2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C9H16ClN5O2/c1-9(2,5-17)15-8-13-6(10)12-7(14-8)11-3-4-16/h16-17H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyRNYCSPIPTBYVNA-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.11
Rot. Bonds6

About 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 22333149) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID22333149
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Name2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C9H16ClN5O2/c1-9(2,5-17)15-8-13-6(10)12-7(14-8)11-3-4-16/h16-17H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyRNYCSPIPTBYVNA-UHFFFAOYSA-N
XLogP0.11
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 22333149) is 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1nc(Cl)nc(NCCO)n1.
What is the InChIKey of 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is RNYCSPIPTBYVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2/c1-9(2,5-17)15-8-13-6(10)12-7(14-8)11-3-4-16/h16-17H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 261.71 g/mol, XLogP of 0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 22333149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).