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

C17H20ClN5 — CID 944862

IUPAC8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESClc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C17H20ClN5/c18-12-4-5-14-13(10-12)15-16(22-14)17(21-11-20-15)19-6-9-23-7-2-1-3-8-23/h4-5,10-11,22H,1-3,6-9H2,(H,19,20,21)
InChIKeyRKAJNBBFDRNMHH-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.66
Rot. Bonds4

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

8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 944862) has the molecular formula C17H20ClN5 and a molecular weight of 329.83 g/mol. Its IUPAC name is 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID944862
Molecular FormulaC17H20ClN5
Molecular Weight329.83 g/mol
Exact Mass329.14
IUPAC Name8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESClc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C17H20ClN5/c18-12-4-5-14-13(10-12)15-16(22-14)17(21-11-20-15)19-6-9-23-7-2-1-3-8-23/h4-5,10-11,22H,1-3,6-9H2,(H,19,20,21)
InChIKeyRKAJNBBFDRNMHH-UHFFFAOYSA-N
XLogP3.66
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 944862) is 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is Clc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1.
What is the InChIKey of 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is RKAJNBBFDRNMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c18-12-4-5-14-13(10-12)15-16(22-14)17(21-11-20-15)19-6-9-23-7-2-1-3-8-23/h4-5,10-11,22H,1-3,6-9H2,(H,19,20,21).
What are the key properties of 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 329.83 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 944862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).