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

C12H22N6O — CID 112628380

IUPAC1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C12H22N6O/c1-8(19)9-4-5-18(6-9)7-10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeySMGUNSRXUFHSMG-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.28
Rot. Bonds4

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

1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 112628380) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID112628380
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C12H22N6O/c1-8(19)9-4-5-18(6-9)7-10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeySMGUNSRXUFHSMG-UHFFFAOYSA-N
XLogP-0.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol (CID 112628380) is 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(Cc2nc(N)nc(N(C)C)n2)C1.
What is the InChIKey of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is SMGUNSRXUFHSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-8(19)9-4-5-18(6-9)7-10-14-11(13)16-12(15-10)17(2)3/h8-9,19H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol?
1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 266.35 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112628380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).