4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C21H26ClN5O3 — CID 133287608

IUPAC4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCC(c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C21H26ClN5O3/c1-21(2)13-27(9-10-30-21)17(14-5-7-15(22)8-6-14)12-24-18-16(11-23)19(28)26(4)20(29)25(18)3/h5-8,17,24H,9-10,12-13H2,1-4H3
InChIKeyQWZJAMIGCDLCSI-UHFFFAOYSA-N
MW431.92 g/mol
LogP1.87
Rot. Bonds5

About 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133287608) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133287608
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Name4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCn1c(NCC(c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C21H26ClN5O3/c1-21(2)13-27(9-10-30-21)17(14-5-7-15(22)8-6-14)12-24-18-16(11-23)19(28)26(4)20(29)25(18)3/h5-8,17,24H,9-10,12-13H2,1-4H3
InChIKeyQWZJAMIGCDLCSI-UHFFFAOYSA-N
XLogP1.87
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

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Related Compounds

4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 42947573
2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 119114926
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133287599
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936786
(2S)-2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 124699693
4-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133311570
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876545
N-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119876547
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136859919
1-butan-2-yl-2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]guanidine;hydroiodide
CID 110936796
2-[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-phenylguanidine
CID 110936795
1-(4-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55015046

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133287608) is 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is Cn1c(NCC(c2ccc(Cl)cc2)N2CCOC(C)(C)C2)c(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is QWZJAMIGCDLCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-21(2)13-27(9-10-30-21)17(14-5-7-15(22)8-6-14)12-24-18-16(11-23)19(28)26(4)20(29)25(18)3/h5-8,17,24H,9-10,12-13H2,1-4H3.
What are the key properties of 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 431.92 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133287608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).