(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine

C18H22N4O2 — CID 940941

IUPAC(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
SMILESCCOc1ccc2[nH]c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3c2c1
InChIInChI=1S/C18H22N4O2/c1-4-23-13-5-6-15-14(7-13)16-17(21-15)18(20-10-19-16)22-8-11(2)24-12(3)9-22/h5-7,10-12,21H,4,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyMIEQHOSBPIIMJM-VXGBXAGGSA-N
MW326.40 g/mol
LogP3.12
Rot. Bonds3

About (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine

(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine (PubChem CID 940941) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
PubChem CID940941
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
SMILESCCOc1ccc2[nH]c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3c2c1
InChIInChI=1S/C18H22N4O2/c1-4-23-13-5-6-15-14(7-13)16-17(21-15)18(20-10-19-16)22-8-11(2)24-12(3)9-22/h5-7,10-12,21H,4,8-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyMIEQHOSBPIIMJM-VXGBXAGGSA-N
XLogP3.12
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine with MolForge

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Related Compounds

4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 3782879
2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
CID 5222134
2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol
CID 7518782
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
CID 2030227
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324
(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
CID 941513
8-chloro-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 940179
(2S,6S)-4-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 946665
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 930329
N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137
8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7688906
8-bromo-4-[(3S)-3-methylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 921248

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine (CID 940941) is (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine is CCOc1ccc2[nH]c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc3c2c1.
What is the InChIKey of (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine?
The InChIKey is MIEQHOSBPIIMJM-VXGBXAGGSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-23-13-5-6-15-14(7-13)16-17(21-15)18(20-10-19-16)22-8-11(2)24-12(3)9-22/h5-7,10-12,21H,4,8-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine?
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine has a molecular weight of 326.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 940941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).