4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine

C19H20Cl2N4O — CID 118913187

IUPAC4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc3c(-c4nc(Cl)ncc4Cl)cn(C)c3c2)CC(C)O1
InChIInChI=1S/C19H20Cl2N4O/c1-11-8-25(9-12(2)26-11)13-4-5-14-15(10-24(3)17(14)6-13)18-16(20)7-22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyIYHOUAAVDAYARY-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.56
Rot. Bonds2

About 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine

4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine (PubChem CID 118913187) has the molecular formula C19H20Cl2N4O and a molecular weight of 391.30 g/mol. Its IUPAC name is 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine
PubChem CID118913187
Molecular FormulaC19H20Cl2N4O
Molecular Weight391.30 g/mol
Exact Mass390.10
IUPAC Name4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine
SMILESCC1CN(c2ccc3c(-c4nc(Cl)ncc4Cl)cn(C)c3c2)CC(C)O1
InChIInChI=1S/C19H20Cl2N4O/c1-11-8-25(9-12(2)26-11)13-4-5-14-15(10-24(3)17(14)6-13)18-16(20)7-22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3
InChIKeyIYHOUAAVDAYARY-UHFFFAOYSA-N
XLogP4.56
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6S)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,6-dimethylmorpholine
CID 26368895
4-(4-tert-butyl-3-chlorophenyl)-2,6-dimethylmorpholine
CID 129268374
(2R,6R)-4-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylmorpholine
CID 170677801
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
(2S)-2,6-dimethyl-4-(4-methylphenyl)morpholine
CID 166696094
(2R)-4-[4-[8-(3,4-dichlorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine
CID 126518314
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
ethane;4-(4-methoxyquinolin-6-yl)-2,6-dimethylmorpholine
CID 157043902
(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332401
2-[2-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]ethanamine
CID 114064893
6-(2,6-dimethylmorpholin-4-yl)-1-methylindole-2,3-dione
CID 81309267
(2S,6R)-4-[6-(2,5-dimethyl-1,3-thiazol-4-yl)-3-pyridinyl]-2,6-dimethylmorpholine
CID 141223503

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine (CID 118913187) is 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine is CC1CN(c2ccc3c(-c4nc(Cl)ncc4Cl)cn(C)c3c2)CC(C)O1.
What is the InChIKey of 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine?
The InChIKey is IYHOUAAVDAYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O/c1-11-8-25(9-12(2)26-11)13-4-5-14-15(10-24(3)17(14)6-13)18-16(20)7-22-19(21)23-18/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine?
4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine has a molecular weight of 391.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dichloropyrimidin-4-yl)-1-methylindol-6-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 118913187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).