4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine

C15H17ClN2 — CID 22135532

IUPAC4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-10-17-13(9-14(16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3
InChIKeyLJBRLJJTNVVYCO-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.40
Rot. Bonds1

About 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine

4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine (PubChem CID 22135532) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
PubChem CID22135532
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H17ClN2/c1-10-17-13(9-14(16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3
InChIKeyLJBRLJJTNVVYCO-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine (CID 22135532) is 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine is Cc1nc(Cl)cc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine?
The InChIKey is LJBRLJJTNVVYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-10-17-13(9-14(16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine?
4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine has a molecular weight of 260.77 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 22135532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).