4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

C18H20N4O3S — CID 11632150

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
InChIKeyWOHBHEXSHHPQIV-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.99
Rot. Bonds6

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine

4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (PubChem CID 11632150) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
PubChem CID11632150
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC
InChIInChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22)
InChIKeyWOHBHEXSHHPQIV-UHFFFAOYSA-N
XLogP3.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,4-Dimethyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11718021
N-Ethyl-4-methyl-5-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)thiazol-2-amine
CID 11647020
N4-(pyridin-2-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 20826919
7-(thiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44410294
7-(4-(methylthio)phenyl)-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 44411413
1-(3-(Cyclopenta-1,3-dienyl)benzyl)-3,5-diethylbenzene
CID 25169255
4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 122192143
7-pyrrolidin-1-yl-N-(3,4,5-trimethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 127044518
N-(2,4-dimethoxyphenyl)-4-[4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145949566
N-(2,4-dimethoxyphenyl)-4-[2-(2-methoxyethoxy)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145951798
4-(2-butoxy-4-methyl-1,3-thiazol-5-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 145951984
N-(2,4-dimethoxyphenyl)-4-[2-[2-(dimethylamino)ethylsulfanyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 145952962

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine (CID 11632150) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is WOHBHEXSHHPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10-17(26-11(2)20-10)13-6-7-19-18(22-13)21-12-8-14(23-3)16(25-5)15(9-12)24-4/h6-9H,1-5H3,(H,19,21,22).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine has a molecular weight of 372.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 11632150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).