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

C11H20N6O — CID 62014160

IUPAC[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CO)n1
InChIInChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-5-3-4-8(17)7-18/h8,18H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySFAUYWUBDPIVHQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.52
Rot. Bonds4

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

[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 62014160) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID62014160
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCN(C)c1nc(N)nc(CN2CCCC2CO)n1
InChIInChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-5-3-4-8(17)7-18/h8,18H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeySFAUYWUBDPIVHQ-UHFFFAOYSA-N
XLogP-0.52
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 62014160) is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol is CN(C)c1nc(N)nc(CN2CCCC2CO)n1.
What is the InChIKey of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is SFAUYWUBDPIVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-5-3-4-8(17)7-18/h8,18H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 252.32 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62014160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).