8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

C18H23N5O — CID 5133615

IUPAC8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O/c1-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-2-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21)
InChIKeyHXUQVUQHLSQUAB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.55
Rot. Bonds5

About 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 5133615) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID5133615
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O/c1-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-2-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21)
InChIKeyHXUQVUQHLSQUAB-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 5133615) is 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine is Cc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1.
What is the InChIKey of 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is HXUQVUQHLSQUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-2-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21).
What are the key properties of 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-morpholin-4-ylpropyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 5133615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).