N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine

C20H24N4O — CID 939062

IUPACN-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1
InChIInChI=1S/C20H24N4O/c1-2-25-15-8-9-17-16(12-15)18-19(24-17)20(23-13-22-18)21-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,24H,2-5,7,10-11H2,1H3,(H,21,22,23)
InChIKeyWCUQVQUPGJPBCE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.81
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine

N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 939062) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID939062
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1
InChIInChI=1S/C20H24N4O/c1-2-25-15-8-9-17-16(12-15)18-19(24-17)20(23-13-22-18)21-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,24H,2-5,7,10-11H2,1H3,(H,21,22,23)
InChIKeyWCUQVQUPGJPBCE-UHFFFAOYSA-N
XLogP4.81
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7688906
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112856556
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
CID 2030227
8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944862
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
ethyl 3-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzoate
CID 19143672

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine (CID 939062) is N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine is CCOc1ccc2[nH]c3c(NCCC4=CCCCC4)ncnc3c2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is WCUQVQUPGJPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-25-15-8-9-17-16(12-15)18-19(24-17)20(23-13-22-18)21-11-10-14-6-4-3-5-7-14/h6,8-9,12-13,24H,2-5,7,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine?
N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 336.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 939062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).