4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine

C14H13ClN2 — CID 65422322

IUPAC4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
SMILESCC1CC1c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN2/c1-9-7-11(9)14-16-12(8-13(15)17-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3
InChIKeyGJHZLHXFVDINMM-UHFFFAOYSA-N
MW244.72 g/mol
LogP3.92
Rot. Bonds2

About 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine

4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine (PubChem CID 65422322) has the molecular formula C14H13ClN2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
PubChem CID65422322
Molecular FormulaC14H13ClN2
Molecular Weight244.72 g/mol
Exact Mass244.08
IUPAC Name4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
SMILESCC1CC1c1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C14H13ClN2/c1-9-7-11(9)14-16-12(8-13(15)17-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3
InChIKeyGJHZLHXFVDINMM-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
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-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine?
The IUPAC name of 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine (CID 65422322) is 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine is CC1CC1c1nc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine?
The InChIKey is GJHZLHXFVDINMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-9-7-11(9)14-16-12(8-13(15)17-14)10-5-3-2-4-6-10/h2-6,8-9,11H,7H2,1H3.
What are the key properties of 4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine?
4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine has a molecular weight of 244.72 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-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine is sourced from PubChem (CID 65422322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).