4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine

C16H19ClN2 — CID 80975464

IUPAC4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1C
InChIInChI=1S/C16H19ClN2/c1-9(2)16-18-14(12(5)15(17)19-16)13-8-6-7-10(3)11(13)4/h6-9H,1-5H3
InChIKeyRZJWLCRHLNTQEH-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.85
Rot. Bonds2

About 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine

4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine (PubChem CID 80975464) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
PubChem CID80975464
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine
SMILESCc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1C
InChIInChI=1S/C16H19ClN2/c1-9(2)16-18-14(12(5)15(17)19-16)13-8-6-7-10(3)11(13)4/h6-9H,1-5H3
InChIKeyRZJWLCRHLNTQEH-UHFFFAOYSA-N
XLogP4.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine (CID 80975464) is 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine is Cc1cccc(-c2nc(C(C)C)nc(Cl)c2C)c1C.
What is the InChIKey of 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
The InChIKey is RZJWLCRHLNTQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-9(2)16-18-14(12(5)15(17)19-16)13-8-6-7-10(3)11(13)4/h6-9H,1-5H3.
What are the key properties of 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine?
4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine has a molecular weight of 274.80 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylphenyl)-5-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 80975464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).