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

C18H23N5 — CID 944640

IUPAC8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5/c1-13-5-6-15-14(11-13)16-17(22-15)18(21-12-20-16)19-7-10-23-8-3-2-4-9-23/h5-6,11-12,22H,2-4,7-10H2,1H3,(H,19,20,21)
InChIKeyQCRHBTVWHSDVSW-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.32
Rot. Bonds4

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

8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 944640) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID944640
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5/c1-13-5-6-15-14(11-13)16-17(22-15)18(21-12-20-16)19-7-10-23-8-3-2-4-9-23/h5-6,11-12,22H,2-4,7-10H2,1H3,(H,19,20,21)
InChIKeyQCRHBTVWHSDVSW-UHFFFAOYSA-N
XLogP3.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 944640) is 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is Cc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1.
What is the InChIKey of 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is QCRHBTVWHSDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-13-5-6-15-14(11-13)16-17(22-15)18(21-12-20-16)19-7-10-23-8-3-2-4-9-23/h5-6,11-12,22H,2-4,7-10H2,1H3,(H,19,20,21).
What are the key properties of 8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-methyl-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 309.42 g/mol, XLogP of 3.32, 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-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 944640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).