2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol

C18H20N4O2S — CID 1068819

IUPAC2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol
SMILESCCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC
InChIInChI=1S/C18H20N4O2S/c1-4-5-11-6-12(15(23)7-16(11)24-3)17-13(8-20-18(19)22-17)14-9-25-10(2)21-14/h6-9,23H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyPTTKTHHXVWCYMQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.82
Rot. Bonds5

About 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol

2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol (PubChem CID 1068819) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol.

Molecular Properties

Compound Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol
PubChem CID1068819
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol
SMILESCCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC
InChIInChI=1S/C18H20N4O2S/c1-4-5-11-6-12(15(23)7-16(11)24-3)17-13(8-20-18(19)22-17)14-9-25-10(2)21-14/h6-9,23H,4-5H2,1-3H3,(H2,19,20,22)
InChIKeyPTTKTHHXVWCYMQ-UHFFFAOYSA-N
XLogP3.82
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol?
The IUPAC name of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol (CID 1068819) is 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol.
What is the SMILES notation for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol?
The canonical SMILES for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol is CCCc1cc(-c2nc(N)ncc2-c2csc(C)n2)c(O)cc1OC.
What is the InChIKey of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol?
The InChIKey is PTTKTHHXVWCYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-5-11-6-12(15(23)7-16(11)24-3)17-13(8-20-18(19)22-17)14-9-25-10(2)21-14/h6-9,23H,4-5H2,1-3H3,(H2,19,20,22).
What are the key properties of 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol?
2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol has a molecular weight of 356.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-yl]-5-methoxy-4-propylphenol is sourced from PubChem (CID 1068819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).