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

C10H18N6O — CID 62918364

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(N)nc(CN2CCC(O)C2)n1
InChIInChI=1S/C10H18N6O/c1-15(2)10-13-8(12-9(11)14-10)6-16-4-3-7(17)5-16/h7,17H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWWQXDNOEHZUHDP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.91
Rot. Bonds3

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

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 62918364) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
PubChem CID62918364
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol
SMILESCN(C)c1nc(N)nc(CN2CCC(O)C2)n1
InChIInChI=1S/C10H18N6O/c1-15(2)10-13-8(12-9(11)14-10)6-16-4-3-7(17)5-16/h7,17H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyWWQXDNOEHZUHDP-UHFFFAOYSA-N
XLogP-0.91
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.91
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-3-ol?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol (CID 62918364) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol is CN(C)c1nc(N)nc(CN2CCC(O)C2)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is WWQXDNOEHZUHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-15(2)10-13-8(12-9(11)14-10)6-16-4-3-7(17)5-16/h7,17H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 238.29 g/mol, XLogP of -0.91, 3 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-ol is sourced from PubChem (CID 62918364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).