2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol

C9H16ClN5O — CID 535405

IUPAC2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)(C)Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C9H16ClN5O/c1-9(2,3)15-8-13-6(10)12-7(14-8)11-4-5-16/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPSSHJZZCOUUSID-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.14
Rot. Bonds4

About 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 535405) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID535405
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)(C)Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C9H16ClN5O/c1-9(2,3)15-8-13-6(10)12-7(14-8)11-4-5-16/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyPSSHJZZCOUUSID-UHFFFAOYSA-N
XLogP1.14
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol (CID 535405) is 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol is CC(C)(C)Nc1nc(Cl)nc(NCCO)n1.
What is the InChIKey of 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is PSSHJZZCOUUSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-9(2,3)15-8-13-6(10)12-7(14-8)11-4-5-16/h16H,4-5H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 245.71 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 535405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).