4-(3-chlorophenyl)-5-methylpyrimidine

C11H9ClN2 — CID 130121120

IUPAC4-(3-chlorophenyl)-5-methylpyrimidine
SMILESCc1cncnc1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2/c1-8-6-13-7-14-11(8)9-3-2-4-10(12)5-9/h2-7H,1H3
InChIKeyVVUDRGHABJKOKG-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 4-(3-chlorophenyl)-5-methylpyrimidine

4-(3-chlorophenyl)-5-methylpyrimidine (PubChem CID 130121120) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methylpyrimidine
PubChem CID130121120
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name4-(3-chlorophenyl)-5-methylpyrimidine
SMILESCc1cncnc1-c1cccc(Cl)c1
InChIInChI=1S/C11H9ClN2/c1-8-6-13-7-14-11(8)9-3-2-4-10(12)5-9/h2-7H,1H3
InChIKeyVVUDRGHABJKOKG-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methylpyrimidine?
The IUPAC name of 4-(3-chlorophenyl)-5-methylpyrimidine (CID 130121120) is 4-(3-chlorophenyl)-5-methylpyrimidine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methylpyrimidine?
The canonical SMILES for 4-(3-chlorophenyl)-5-methylpyrimidine is Cc1cncnc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methylpyrimidine?
The InChIKey is VVUDRGHABJKOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-6-13-7-14-11(8)9-3-2-4-10(12)5-9/h2-7H,1H3.
What are the key properties of 4-(3-chlorophenyl)-5-methylpyrimidine?
4-(3-chlorophenyl)-5-methylpyrimidine has a molecular weight of 204.66 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methylpyrimidine is sourced from PubChem (CID 130121120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).