4-chloro-2-methyl-5-phenylpyrimidine

C11H9ClN2 — CID 19917991

IUPAC4-chloro-2-methyl-5-phenylpyrimidine
SMILESCc1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-13-7-10(11(12)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyUCLMEFRXPOBQMK-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 4-chloro-2-methyl-5-phenylpyrimidine

4-chloro-2-methyl-5-phenylpyrimidine (PubChem CID 19917991) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-phenylpyrimidine
PubChem CID19917991
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name4-chloro-2-methyl-5-phenylpyrimidine
SMILESCc1ncc(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H9ClN2/c1-8-13-7-10(11(12)14-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyUCLMEFRXPOBQMK-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-chloro-2-methyl-5-phenylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-phenylpyrimidine (CID 19917991) is 4-chloro-2-methyl-5-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-phenylpyrimidine is Cc1ncc(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4-chloro-2-methyl-5-phenylpyrimidine?
The InChIKey is UCLMEFRXPOBQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-13-7-10(11(12)14-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 4-chloro-2-methyl-5-phenylpyrimidine?
4-chloro-2-methyl-5-phenylpyrimidine 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-chloro-2-methyl-5-phenylpyrimidine is sourced from PubChem (CID 19917991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).