4-(4-chlorophenyl)-2-propan-2-ylpyrimidine

C13H13ClN2 — CID 67473578

IUPAC4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2/c1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeyCDOUDLDKMZDJRO-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.92
Rot. Bonds2

About 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine

4-(4-chlorophenyl)-2-propan-2-ylpyrimidine (PubChem CID 67473578) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
PubChem CID67473578
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2/c1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10/h3-9H,1-2H3
InChIKeyCDOUDLDKMZDJRO-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine (CID 67473578) is 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
The InChIKey is CDOUDLDKMZDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-9(2)13-15-8-7-12(16-13)10-3-5-11(14)6-4-10/h3-9H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine?
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 67473578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).