ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate

C23H25N3O2 — CID 156544026

IUPACethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2cc(CC)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C23H25N3O2/c1-4-19-15-21(26-23(25-19)18-8-6-7-16(3)13-18)24-20-11-9-17(10-12-20)14-22(27)28-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,26)
InChIKeyMSNWFANEZBCBSQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.86
Rot. Bonds7

About ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate

ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate (PubChem CID 156544026) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
PubChem CID156544026
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nameethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Nc2cc(CC)nc(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C23H25N3O2/c1-4-19-15-21(26-23(25-19)18-8-6-7-16(3)13-18)24-20-11-9-17(10-12-20)14-22(27)28-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,26)
InChIKeyMSNWFANEZBCBSQ-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 90113055
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
ethyl 2-[6-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]-3-pyridinyl]acetate
CID 90110924
3-[[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid
CID 56767974
ethyl 2-[4-(3-hydroxyphenyl)phenyl]acetate
CID 25139319
ethyl 2-[4-[(5,6-diethyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetate
CID 58775466
ethyl 2-[4-[(5,5-dioxo-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl]acetate
CID 71625094
ethyl 2-[4-(3-chlorophenyl)phenyl]acetate
CID 131887311
2-(4-ethoxyphenyl)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 110322807
ethyl 2-[4-[3-(4-methoxyanilino)pyrazol-1-yl]phenyl]acetate
CID 139631069
ethyl 2-[4-[[(1R)-1-iodoethyl]amino]phenyl]acetate
CID 142030495

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate (CID 156544026) is ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate is CCOC(=O)Cc1ccc(Nc2cc(CC)nc(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate?
The InChIKey is MSNWFANEZBCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-4-19-15-21(26-23(25-19)18-8-6-7-16(3)13-18)24-20-11-9-17(10-12-20)14-22(27)28-5-2/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,26).
What are the key properties of ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate?
ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate has a molecular weight of 375.47 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate is sourced from PubChem (CID 156544026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).