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

C18H23N5O — CID 663995

IUPAC8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O/c1-24-13-5-6-15-14(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)
InChIKeyQFFFBPHEMVSYDI-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.02
Rot. Bonds5

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

8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 663995) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID663995
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O/c1-24-13-5-6-15-14(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)
InChIKeyQFFFBPHEMVSYDI-UHFFFAOYSA-N
XLogP3.02
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 663995) is 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1.
What is the InChIKey of 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is QFFFBPHEMVSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-24-13-5-6-15-14(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-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 663995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).