N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine

C18H25N5O — CID 943305

IUPACN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCOc1ccc2[nH]c3c(NCCN(CC)CC)ncnc3c2c1
InChIInChI=1S/C18H25N5O/c1-4-23(5-2)10-9-19-18-17-16(20-12-21-18)14-11-13(24-6-3)7-8-15(14)22-17/h7-8,11-12,22H,4-6,9-10H2,1-3H3,(H,19,20,21)
InChIKeyAZZVKKCELDLMPY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.26
Rot. Bonds8

About N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine

N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 943305) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID943305
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCOc1ccc2[nH]c3c(NCCN(CC)CC)ncnc3c2c1
InChIInChI=1S/C18H25N5O/c1-4-23(5-2)10-9-19-18-17-16(20-12-21-18)14-11-13(24-6-3)7-8-15(14)22-17/h7-8,11-12,22H,4-6,9-10H2,1-3H3,(H,19,20,21)
InChIKeyAZZVKKCELDLMPY-UHFFFAOYSA-N
XLogP3.26
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine (CID 943305) is N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine is CCOc1ccc2[nH]c3c(NCCN(CC)CC)ncnc3c2c1.
What is the InChIKey of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is AZZVKKCELDLMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-23(5-2)10-9-19-18-17-16(20-12-21-18)14-11-13(24-6-3)7-8-15(14)22-17/h7-8,11-12,22H,4-6,9-10H2,1-3H3,(H,19,20,21).
What are the key properties of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 327.43 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).