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

C13H24N6O — CID 62467465

IUPAC3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CCCO)n1
InChIInChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19-7-3-5-10(19)6-4-8-20/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeySCZARZLNNMAADL-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.26
Rot. Bonds6

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

3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467465) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467465
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CCCO)n1
InChIInChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19-7-3-5-10(19)6-4-8-20/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17)
InChIKeySCZARZLNNMAADL-UHFFFAOYSA-N
XLogP0.26
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467465) is 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol is CN(C)c1nc(N)nc(CN2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is SCZARZLNNMAADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18(2)13-16-11(15-12(14)17-13)9-19-7-3-5-10(19)6-4-8-20/h10,20H,3-9H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 280.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).