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

C11H20N6O — CID 55064655

IUPAC[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol
SMILESCN(C)c1nc(N)nc(CN2CCC(CO)C2)n1
InChIInChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-4-3-8(5-17)7-18/h8,18H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyNIQIYPKXKQDBPK-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.67
Rot. Bonds4

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

[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 55064655) 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-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID55064655
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-3-yl]methanol
SMILESCN(C)c1nc(N)nc(CN2CCC(CO)C2)n1
InChIInChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-4-3-8(5-17)7-18/h8,18H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyNIQIYPKXKQDBPK-UHFFFAOYSA-N
XLogP-0.67
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 ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
6-[[ethyl(oxolan-3-ylmethyl)amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 71859909
3-Amino-3-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-1-propanol
CID 597562
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-yl]methanol
CID 60968067
[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]methanol
CID 62021578
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 62022584
3-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-propan-2-ylamino]propan-1-ol
CID 62022778
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372619
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
CID 62917871
1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 62918364
(3S)-1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
CID 64196042
(3S)-1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]pyrrolidin-3-ol
CID 64196211

Frequently Asked Questions

What is the IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol (CID 55064655) is [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol is CN(C)c1nc(N)nc(CN2CCC(CO)C2)n1.
What is the InChIKey of [1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is NIQIYPKXKQDBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-16(2)11-14-9(13-10(12)15-11)6-17-4-3-8(5-17)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-3-yl]methanol?
[1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 252.32 g/mol, XLogP of -0.67, 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-3-yl]methanol is sourced from PubChem (CID 55064655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).