8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

C17H21N5 — CID 917197

IUPAC8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCN4CCCC4)ncnc3c2c1
InChIInChI=1S/C17H21N5/c1-12-4-5-14-13(10-12)15-16(21-14)17(20-11-19-15)18-6-9-22-7-2-3-8-22/h4-5,10-11,21H,2-3,6-9H2,1H3,(H,18,19,20)
InChIKeyLPVSHVPVOBNGCY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.93
Rot. Bonds4

About 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 917197) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID917197
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCN4CCCC4)ncnc3c2c1
InChIInChI=1S/C17H21N5/c1-12-4-5-14-13(10-12)15-16(21-14)17(20-11-19-15)18-6-9-22-7-2-3-8-22/h4-5,10-11,21H,2-3,6-9H2,1H3,(H,18,19,20)
InChIKeyLPVSHVPVOBNGCY-UHFFFAOYSA-N
XLogP2.93
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine 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 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 917197) is 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is Cc1ccc2[nH]c3c(NCCN4CCCC4)ncnc3c2c1.
What is the InChIKey of 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is LPVSHVPVOBNGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-4-5-14-13(10-12)15-16(21-14)17(20-11-19-15)18-6-9-22-7-2-3-8-22/h4-5,10-11,21H,2-3,6-9H2,1H3,(H,18,19,20).
What are the key properties of 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 295.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(2-pyrrolidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 917197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).