4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine

C14H15ClN2O3 — CID 43557849

IUPAC4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)c(-c2nc(C)cc(Cl)n2)c(OC)c1
InChIInChI=1S/C14H15ClN2O3/c1-8-5-12(15)17-14(16-8)13-10(19-3)6-9(18-2)7-11(13)20-4/h5-7H,1-4H3
InChIKeyXSUPZEBJBIKJFW-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine

4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine (PubChem CID 43557849) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
PubChem CID43557849
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)c(-c2nc(C)cc(Cl)n2)c(OC)c1
InChIInChI=1S/C14H15ClN2O3/c1-8-5-12(15)17-14(16-8)13-10(19-3)6-9(18-2)7-11(13)20-4/h5-7H,1-4H3
InChIKeyXSUPZEBJBIKJFW-UHFFFAOYSA-N
XLogP3.13
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine (CID 43557849) is 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine is COc1cc(OC)c(-c2nc(C)cc(Cl)n2)c(OC)c1.
What is the InChIKey of 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine?
The InChIKey is XSUPZEBJBIKJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-5-12(15)17-14(16-8)13-10(19-3)6-9(18-2)7-11(13)20-4/h5-7H,1-4H3.
What are the key properties of 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine?
4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine has a molecular weight of 294.74 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2,4,6-trimethoxyphenyl)pyrimidine is sourced from PubChem (CID 43557849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).