[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol

C11H18N4O3 — CID 102786850

IUPAC[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1nc(OC)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C11H18N4O3/c1-7-4-5-15(8(7)6-16)9-12-10(17-2)14-11(13-9)18-3/h7-8,16H,4-6H2,1-3H3
InChIKeyBAPGEWOEXCNLHQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.10
Rot. Bonds4

About [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102786850) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102786850
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCOc1nc(OC)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C11H18N4O3/c1-7-4-5-15(8(7)6-16)9-12-10(17-2)14-11(13-9)18-3/h7-8,16H,4-6H2,1-3H3
InChIKeyBAPGEWOEXCNLHQ-UHFFFAOYSA-N
XLogP0.10
TPSA80.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790017
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 102785897
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789968
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776654
[1-(2-amino-3-methoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777389
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 114074767
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102786850) is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol is COc1nc(OC)nc(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is BAPGEWOEXCNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-4-5-15(8(7)6-16)9-12-10(17-2)14-11(13-9)18-3/h7-8,16H,4-6H2,1-3H3.
What are the key properties of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102786850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).