2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

C12H22N6O — CID 6488393

IUPAC2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(2)14-11-15-10(13-5-8-19)16-12(17-11)18-6-3-4-7-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGVYGHTZQOSAEGI-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.70
Rot. Bonds6

About 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 6488393) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID6488393
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
SMILESCC(C)Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C12H22N6O/c1-9(2)14-11-15-10(13-5-8-19)16-12(17-11)18-6-3-4-7-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyGVYGHTZQOSAEGI-UHFFFAOYSA-N
XLogP0.70
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol (CID 6488393) is 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is CC(C)Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is GVYGHTZQOSAEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-9(2)14-11-15-10(13-5-8-19)16-12(17-11)18-6-3-4-7-18/h9,19H,3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 266.35 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 6488393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).