[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

C24H23Cl2N3O3 — CID 10238748

IUPAC[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)n(C)c(=O)c1N[C@@H]1c2ccccc2C[C@@H]1OC(C)=O
InChIInChI=1S/C24H23Cl2N3O3/c1-4-19-22(24(31)29(3)23(27-19)17-10-9-15(25)12-18(17)26)28-21-16-8-6-5-7-14(16)11-20(21)32-13(2)30/h5-10,12,20-21,28H,4,11H2,1-3H3/t20-,21+/m0/s1
InChIKeyCMHTXMKQXQRBKE-LEWJYISDSA-N
MW472.37 g/mol
LogP4.96
Rot. Bonds5

About [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate

[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 10238748) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID10238748
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)n(C)c(=O)c1N[C@@H]1c2ccccc2C[C@@H]1OC(C)=O
InChIInChI=1S/C24H23Cl2N3O3/c1-4-19-22(24(31)29(3)23(27-19)17-10-9-15(25)12-18(17)26)28-21-16-8-6-5-7-14(16)11-20(21)32-13(2)30/h5-10,12,20-21,28H,4,11H2,1-3H3/t20-,21+/m0/s1
InChIKeyCMHTXMKQXQRBKE-LEWJYISDSA-N
XLogP4.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate with MolForge

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Related Compounds

2-[2-chloro-4-(trifluoromethyl)phenyl]-5-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3,6-dimethylpyrimidin-4-one
CID 10127946
[(1R,2S)-1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 10174520
[(1R,2S)-1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 10217670
[(1R,2S)-1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1,4-diethyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 10218025
2-[2-chloro-4-(trifluoromethyl)phenyl]-5-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3,6-diethylpyrimidin-4-one
CID 10311382
[1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1,4-diethyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018423
[1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1,4-dimethyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018424
[1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-4-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018425
[1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018426
2-[2-chloro-4-(trifluoromethyl)phenyl]-5-[[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3,6-diethylpyrimidin-4-one
CID 58606624
[(2S)-1-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-1-ethyl-4-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58606671
2-[2-chloro-4-(trifluoromethyl)phenyl]-5-[[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-ethyl-6-methylpyrimidin-4-one
CID 58606687

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate (CID 10238748) is [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is CCc1nc(-c2ccc(Cl)cc2Cl)n(C)c(=O)c1N[C@@H]1c2ccccc2C[C@@H]1OC(C)=O.
What is the InChIKey of [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is CMHTXMKQXQRBKE-LEWJYISDSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c1-4-19-22(24(31)29(3)23(27-19)17-10-9-15(25)12-18(17)26)28-21-16-8-6-5-7-14(16)11-20(21)32-13(2)30/h5-10,12,20-21,28H,4,11H2,1-3H3/t20-,21+/m0/s1.
What are the key properties of [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate?
[(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 472.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[[2-(2,4-dichlorophenyl)-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 10238748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).