5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

C25H28N6O2S — CID 143774970

IUPAC5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2nc(N)sc2-c2ccnc(Nc3ccc(OCCN(C)C)c(C)c3)n2)c1
InChIInChI=1S/C25H28N6O2S/c1-16-14-18(8-9-21(16)33-13-12-31(2)3)28-25-27-11-10-20(29-25)23-22(30-24(26)34-23)17-6-5-7-19(15-17)32-4/h5-11,14-15H,12-13H2,1-4H3,(H2,26,30)(H,27,28,29)
InChIKeyWRJWWHGLOAIQND-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.85
Rot. Bonds9

About 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 143774970) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID143774970
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Name5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2nc(N)sc2-c2ccnc(Nc3ccc(OCCN(C)C)c(C)c3)n2)c1
InChIInChI=1S/C25H28N6O2S/c1-16-14-18(8-9-21(16)33-13-12-31(2)3)28-25-27-11-10-20(29-25)23-22(30-24(26)34-23)17-6-5-7-19(15-17)32-4/h5-11,14-15H,12-13H2,1-4H3,(H2,26,30)(H,27,28,29)
InChIKeyWRJWWHGLOAIQND-UHFFFAOYSA-N
XLogP4.85
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-[5-[2-[3-chloro-4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-ethyl-1,3-thiazol-4-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
CID 58236728
N-[3-[2-amino-5-[2-[4-[3-(dimethylamino)propylamino]-3-fluoroanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]cyclohexanecarboxamide
CID 88956691
N-[3-[2-amino-5-[2-[4-[3-(dimethylamino)propylamino]-3-fluoroanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-N-methylcyclohexanecarboxamide
CID 86652807
4-(3-phenylmethoxyphenyl)-5-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 58236674
4-[2-(dimethylamino)ethoxy]-6-methoxy-1-N-[4-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrimidin-2-yl]benzene-1,3-diamine
CID 178172964
5-[[4-[2-ethyl-4-(3-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-2-(2-hydroxyethoxy)benzonitrile
CID 58377213
CID 89370521
CID 89370521
N-[3-[5-[2-[3-chloro-4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 86652770
5-(2-chloropyrimidin-4-yl)-N-(2-methoxyethyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 86656306
3-ethyl-5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-one
CID 11210054
3-[3-[5-[2-[4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(2,2,2-trifluoroethylsulfonylamino)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 87525237
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 143774970) is 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(-c2nc(N)sc2-c2ccnc(Nc3ccc(OCCN(C)C)c(C)c3)n2)c1.
What is the InChIKey of 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is WRJWWHGLOAIQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-16-14-18(8-9-21(16)33-13-12-31(2)3)28-25-27-11-10-20(29-25)23-22(30-24(26)34-23)17-6-5-7-19(15-17)32-4/h5-11,14-15H,12-13H2,1-4H3,(H2,26,30)(H,27,28,29).
What are the key properties of 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 476.61 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(dimethylamino)ethoxy]-3-methylanilino]pyrimidin-4-yl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143774970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).