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

C10H18ClN5O — CID 684284

IUPAC2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H18ClN5O/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5-17/h6,17H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyAHEYCVAPTNALHL-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.53
Rot. Bonds5

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

2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 684284) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID684284
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1
InChIInChI=1S/C10H18ClN5O/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5-17/h6,17H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyAHEYCVAPTNALHL-UHFFFAOYSA-N
XLogP1.53
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 684284) is 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CC(C)Nc1nc(Cl)nc(NC(C)(C)CO)n1.
What is the InChIKey of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is AHEYCVAPTNALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-6(2)12-8-13-7(11)14-9(15-8)16-10(3,4)5-17/h6,17H,5H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 259.74 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 684284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).