2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide

C22H23ClN4O — CID 90113055

IUPAC2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
SMILESCCc1cc(Nc2ccc(C(C)(C)C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H23ClN4O/c1-4-17-13-19(27-20(26-17)14-6-5-7-16(23)12-14)25-18-10-8-15(9-11-18)22(2,3)21(24)28/h5-13H,4H2,1-3H3,(H2,24,28)(H,25,26,27)
InChIKeyYRTGSSMWXCBUHG-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.87
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide

2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide (PubChem CID 90113055) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
PubChem CID90113055
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
SMILESCCc1cc(Nc2ccc(C(C)(C)C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C22H23ClN4O/c1-4-17-13-19(27-20(26-17)14-6-5-7-16(23)12-14)25-18-10-8-15(9-11-18)22(2,3)21(24)28/h5-13H,4H2,1-3H3,(H2,24,28)(H,25,26,27)
InChIKeyYRTGSSMWXCBUHG-UHFFFAOYSA-N
XLogP4.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[[6-ethyl-2-(3-methylphenyl)pyrimidin-4-yl]amino]phenyl]acetate
CID 156544026
2-(3-chlorophenyl)-6-ethylpyrimidin-4-amine
CID 62192624
methyl 2-[2-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]-1,3-oxazol-5-yl]acetate
CID 90109881
2-(3-chlorophenyl)-6-propyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrimidin-4-amine
CID 144616801
3-[[6-ethyl-2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid
CID 56767974
2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]methyl]phenyl]-N-(2-hydroxyethyl)acetamide
CID 90112663
6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 63485047
4-N-(3-chlorophenyl)-2-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 53214673
2-(3-chlorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 55062778
3-[4-ethyl-6-(propylamino)pyrimidin-2-yl]phenol
CID 62202780
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide (CID 90113055) is 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide is CCc1cc(Nc2ccc(C(C)(C)C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide?
The InChIKey is YRTGSSMWXCBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-4-17-13-19(27-20(26-17)14-6-5-7-16(23)12-14)25-18-10-8-15(9-11-18)22(2,3)21(24)28/h5-13H,4H2,1-3H3,(H2,24,28)(H,25,26,27).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide?
2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide has a molecular weight of 394.91 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 90113055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).