8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

C16H20N4O — CID 943338

IUPAC8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCC(C)C)ncnc3c2c1
InChIInChI=1S/C16H20N4O/c1-4-21-11-5-6-13-12(7-11)14-15(20-13)16(19-9-18-14)17-8-10(2)3/h5-7,9-10,20H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyXTLQODYRAZEBCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds5

About 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine

8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 943338) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID943338
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCC(C)C)ncnc3c2c1
InChIInChI=1S/C16H20N4O/c1-4-21-11-5-6-13-12(7-11)14-15(20-13)16(19-9-18-14)17-8-10(2)3/h5-7,9-10,20H,4,8H2,1-3H3,(H,17,18,19)
InChIKeyXTLQODYRAZEBCC-UHFFFAOYSA-N
XLogP3.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 943338) is 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine is CCOc1ccc2[nH]c3c(NCC(C)C)ncnc3c2c1.
What is the InChIKey of 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is XTLQODYRAZEBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-21-11-5-6-13-12(7-11)14-15(20-13)16(19-9-18-14)17-8-10(2)3/h5-7,9-10,20H,4,8H2,1-3H3,(H,17,18,19).
What are the key properties of 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 284.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(2-methylpropyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 943338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).