2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone

C20H23N3O2 — CID 110115994

IUPAC2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)nc(C)n1
InChIInChI=1S/C20H23N3O2/c1-13-10-18(22-14(2)21-13)19-12-23(8-9-25-19)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3
InChIKeyKYBFMQSAXGIDKA-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.80
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone

2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 110115994) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID110115994
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)nc(C)n1
InChIInChI=1S/C20H23N3O2/c1-13-10-18(22-14(2)21-13)19-12-23(8-9-25-19)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3
InChIKeyKYBFMQSAXGIDKA-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 124955708
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
[(2S)-2-(6-amino-2-methylpyrimidin-4-yl)morpholin-4-yl]-phenylmethanone
CID 95847585
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 110115994) is 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)nc(C)n1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is KYBFMQSAXGIDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13-10-18(22-14(2)21-13)19-12-23(8-9-25-19)20(24)17-7-6-15-4-3-5-16(15)11-17/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 110115994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).