2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole

C20H24N4O — CID 127246676

IUPAC2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(CN3CCC(c4nc(C)cc(C)n4)C3)cc2c1
InChIInChI=1S/C20H24N4O/c1-13-8-14(2)22-20(21-13)15-6-7-24(11-15)12-17-9-16-10-18(25-3)4-5-19(16)23-17/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3
InChIKeyXCBVSSNSDNFRNE-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.57
Rot. Bonds4

About 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole

2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole (PubChem CID 127246676) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole
PubChem CID127246676
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]c(CN3CCC(c4nc(C)cc(C)n4)C3)cc2c1
InChIInChI=1S/C20H24N4O/c1-13-8-14(2)22-20(21-13)15-6-7-24(11-15)12-17-9-16-10-18(25-3)4-5-19(16)23-17/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3
InChIKeyXCBVSSNSDNFRNE-UHFFFAOYSA-N
XLogP3.57
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole 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 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole (CID 127246676) is 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]c(CN3CCC(c4nc(C)cc(C)n4)C3)cc2c1.
What is the InChIKey of 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is XCBVSSNSDNFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-13-8-14(2)22-20(21-13)15-6-7-24(11-15)12-17-9-16-10-18(25-3)4-5-19(16)23-17/h4-5,8-10,15,23H,6-7,11-12H2,1-3H3.
What are the key properties of 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole?
2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 336.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 127246676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).