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

C13H25N7O — CID 66053963

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N7O/c1-18(2)6-9-5-10(21)7-20(9)8-11-15-12(14)17-13(16-11)19(3)4/h9-10,21H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyVPHQFFUSAPKQHM-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.98
Rot. Bonds5

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

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053963) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053963
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N7O/c1-18(2)6-9-5-10(21)7-20(9)8-11-15-12(14)17-13(16-11)19(3)4/h9-10,21H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyVPHQFFUSAPKQHM-UHFFFAOYSA-N
XLogP-0.98
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053963) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is VPHQFFUSAPKQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7O/c1-18(2)6-9-5-10(21)7-20(9)8-11-15-12(14)17-13(16-11)19(3)4/h9-10,21H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 295.39 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).