4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine

C14H15ClN2O2 — CID 23730594

IUPAC4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(-c2cc(C)cc(C)c2)c(OC)n1
InChIInChI=1S/C14H15ClN2O2/c1-8-5-9(2)7-10(6-8)11-12(15)16-14(19-4)17-13(11)18-3/h5-7H,1-4H3
InChIKeyATANHQNVSQMXJT-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine

4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine (PubChem CID 23730594) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine
PubChem CID23730594
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine
SMILESCOc1nc(Cl)c(-c2cc(C)cc(C)c2)c(OC)n1
InChIInChI=1S/C14H15ClN2O2/c1-8-5-9(2)7-10(6-8)11-12(15)16-14(19-4)17-13(11)18-3/h5-7H,1-4H3
InChIKeyATANHQNVSQMXJT-UHFFFAOYSA-N
XLogP3.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine?
The IUPAC name of 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine (CID 23730594) is 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine is COc1nc(Cl)c(-c2cc(C)cc(C)c2)c(OC)n1.
What is the InChIKey of 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine?
The InChIKey is ATANHQNVSQMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-5-9(2)7-10(6-8)11-12(15)16-14(19-4)17-13(11)18-3/h5-7H,1-4H3.
What are the key properties of 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine?
4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine has a molecular weight of 278.74 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3,5-dimethylphenyl)-2,6-dimethoxypyrimidine is sourced from PubChem (CID 23730594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).