ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate

C22H21ClN4O2 — CID 90110924

IUPACethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)nc1
InChIInChI=1S/C22H21ClN4O2/c1-2-29-21(28)10-14-6-9-19(24-13-14)26-20-12-18(15-7-8-15)25-22(27-20)16-4-3-5-17(23)11-16/h3-6,9,11-13,15H,2,7-8,10H2,1H3,(H,24,25,26,27)
InChIKeyATUUWOYQLDBSDO-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.92
Rot. Bonds7

About ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate

ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate (PubChem CID 90110924) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate
PubChem CID90110924
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Nameethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)nc1
InChIInChI=1S/C22H21ClN4O2/c1-2-29-21(28)10-14-6-9-19(24-13-14)26-20-12-18(15-7-8-15)25-22(27-20)16-4-3-5-17(23)11-16/h3-6,9,11-13,15H,2,7-8,10H2,1H3,(H,24,25,26,27)
InChIKeyATUUWOYQLDBSDO-UHFFFAOYSA-N
XLogP4.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate with MolForge

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Related Compounds

ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
CID 156544026
[6-cyclopropyl-2-(3-propoxyphenyl)pyrimidin-4-yl]hydrazine
CID 63354426
ethyl 2-[[5-(3-chlorophenyl)-4-cyclopropyl-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 162731487
methyl 2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxyacetate
CID 95922488
methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
CID 90109881
3-[4-cyclopropyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 63354599
ethyl 2-[4-(3-chlorophenyl)-2-oxopyrimido[2,1-b][1,3]benzothiazol-8-yl]acetate
CID 13477954
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 3-chloro-6-(3-chlorophenyl)pyridazine-4-carboxylate
CID 121205199
2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate (CID 90110924) is ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate is CCOC(=O)Cc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)nc1.
What is the InChIKey of ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate?
The InChIKey is ATUUWOYQLDBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-2-29-21(28)10-14-6-9-19(24-13-14)26-20-12-18(15-7-8-15)25-22(27-20)16-4-3-5-17(23)11-16/h3-6,9,11-13,15H,2,7-8,10H2,1H3,(H,24,25,26,27).
What are the key properties of ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate?
ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate has a molecular weight of 408.89 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate is sourced from PubChem (CID 90110924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).