(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine

C17H20N4O — CID 941513

IUPAC(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
SMILESCc1cccc2[nH]c3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc3c12
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-13-14(10)15-16(20-13)17(19-9-18-15)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3/t11-,12+
InChIKeyAAQYFHDADVYBFT-TXEJJXNPSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds1

About (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine

(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine (PubChem CID 941513) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
PubChem CID941513
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
SMILESCc1cccc2[nH]c3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc3c12
InChIInChI=1S/C17H20N4O/c1-10-5-4-6-13-14(10)15-16(20-13)17(19-9-18-15)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3/t11-,12+
InChIKeyAAQYFHDADVYBFT-TXEJJXNPSA-N
XLogP3.03
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine with MolForge

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Related Compounds

(2S,6S)-4-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 946665
2,6-dimethyl-4-(7-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine
CID 5222134
4-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-5H-pyrimido[5,4-b]indole
CID 3658725
4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 3782879
9-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
CID 7537750
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 940941
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5H-pyrimido[5,4-b]indole
CID 930329
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
(2S,6R)-2,6-dimethyl-4-(7H-purin-6-yl)morpholine
CID 756697
4-(3,5-dimethylpiperidin-1-yl)-7-methyl-5H-pyrimido[5,4-b]indole
CID 4534736
9-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2045174
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine (CID 941513) is (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine is Cc1cccc2[nH]c3c(N4C[C@@H](C)O[C@@H](C)C4)ncnc3c12.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
The InChIKey is AAQYFHDADVYBFT-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-5-4-6-13-14(10)15-16(20-13)17(19-9-18-15)21-7-11(2)22-12(3)8-21/h4-6,9,11-12,20H,7-8H2,1-3H3/t11-,12+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine?
(2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine has a molecular weight of 296.37 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-(9-methyl-5H-pyrimido[5,4-b]indol-4-yl)morpholine is sourced from PubChem (CID 941513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).