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

C16H21N5O — CID 943137

IUPACN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc2[nH]c3c(NCCN(C)C)ncnc3c2c1
InChIInChI=1S/C16H21N5O/c1-4-22-11-5-6-13-12(9-11)14-15(20-13)16(19-10-18-14)17-7-8-21(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXEHXNBGDGSEOEB-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.48
Rot. Bonds6

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

N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 943137) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID943137
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCOc1ccc2[nH]c3c(NCCN(C)C)ncnc3c2c1
InChIInChI=1S/C16H21N5O/c1-4-22-11-5-6-13-12(9-11)14-15(20-13)16(19-10-18-14)17-7-8-21(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,17,18,19)
InChIKeyXEHXNBGDGSEOEB-UHFFFAOYSA-N
XLogP2.48
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
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N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
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8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
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1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
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CID 2018302
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
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4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
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8-chloro-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
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N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
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CID 7518782

Frequently Asked Questions

What is the IUPAC name of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 943137) is N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine is CCOc1ccc2[nH]c3c(NCCN(C)C)ncnc3c2c1.
What is the InChIKey of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XEHXNBGDGSEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-4-22-11-5-6-13-12(9-11)14-15(20-13)16(19-10-18-14)17-7-8-21(2)3/h5-6,9-10,20H,4,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.48, 6 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'-dimethylethane-1,2-diamine is sourced from PubChem (CID 943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).