2-chloro-4-(3-methylphenyl)pyrimidine

C11H9ClN2 — CID 24901884

IUPAC2-chloro-4-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C11H9ClN2/c1-8-3-2-4-9(7-8)10-5-6-13-11(12)14-10/h2-7H,1H3
InChIKeyIRNFSIWXTRTUTH-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 2-chloro-4-(3-methylphenyl)pyrimidine

2-chloro-4-(3-methylphenyl)pyrimidine (PubChem CID 24901884) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-chloro-4-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-methylphenyl)pyrimidine
PubChem CID24901884
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name2-chloro-4-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C11H9ClN2/c1-8-3-2-4-9(7-8)10-5-6-13-11(12)14-10/h2-7H,1H3
InChIKeyIRNFSIWXTRTUTH-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 2-chloro-4-(3-methylphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(3-methylphenyl)pyrimidine (CID 24901884) is 2-chloro-4-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-methylphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(3-methylphenyl)pyrimidine is Cc1cccc(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(3-methylphenyl)pyrimidine?
The InChIKey is IRNFSIWXTRTUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-3-2-4-9(7-8)10-5-6-13-11(12)14-10/h2-7H,1H3.
What are the key properties of 2-chloro-4-(3-methylphenyl)pyrimidine?
2-chloro-4-(3-methylphenyl)pyrimidine 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 2-chloro-4-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 24901884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).