4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C17H19N5O3S — CID 11530872

IUPAC4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(N)nc3C)n2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3S/c1-9-15(26-16(18)20-9)11-5-6-19-17(22-11)21-10-7-12(23-2)14(25-4)13(8-10)24-3/h5-8H,1-4H3,(H2,18,20)(H,19,21,22)
InChIKeyXDDJYXJYNJNLEL-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.26
Rot. Bonds6

About 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11530872) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID11530872
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(N)nc3C)n2)cc(OC)c1OC
InChIInChI=1S/C17H19N5O3S/c1-9-15(26-16(18)20-9)11-5-6-19-17(22-11)21-10-7-12(23-2)14(25-4)13(8-10)24-3/h5-8H,1-4H3,(H2,18,20)(H,19,21,22)
InChIKeyXDDJYXJYNJNLEL-UHFFFAOYSA-N
XLogP3.26
TPSA104.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 11530872) is 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is COc1cc(Nc2nccc(-c3sc(N)nc3C)n2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is XDDJYXJYNJNLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-9-15(26-16(18)20-9)11-5-6-19-17(22-11)21-10-7-12(23-2)14(25-4)13(8-10)24-3/h5-8H,1-4H3,(H2,18,20)(H,19,21,22).
What are the key properties of 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 373.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11530872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).