2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine

C18H16ClN3 — CID 54059485

IUPAC2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(CCc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C18H16ClN3/c1-13-11-12-20-18(21-13)17-4-2-3-16(22-17)10-7-14-5-8-15(19)9-6-14/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyLYQJEWMPUIGALD-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.29
Rot. Bonds4

About 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine

2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine (PubChem CID 54059485) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine
PubChem CID54059485
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine
SMILESCc1ccnc(-c2cccc(CCc3ccc(Cl)cc3)n2)n1
InChIInChI=1S/C18H16ClN3/c1-13-11-12-20-18(21-13)17-4-2-3-16(22-17)10-7-14-5-8-15(19)9-6-14/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyLYQJEWMPUIGALD-UHFFFAOYSA-N
XLogP4.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine?
The IUPAC name of 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine (CID 54059485) is 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine.
What is the SMILES notation for 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine?
The canonical SMILES for 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine is Cc1ccnc(-c2cccc(CCc3ccc(Cl)cc3)n2)n1.
What is the InChIKey of 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine?
The InChIKey is LYQJEWMPUIGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-13-11-12-20-18(21-13)17-4-2-3-16(22-17)10-7-14-5-8-15(19)9-6-14/h2-6,8-9,11-12H,7,10H2,1H3.
What are the key properties of 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine?
2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine has a molecular weight of 309.80 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(4-chlorophenyl)ethyl]-2-pyridinyl]-4-methylpyrimidine is sourced from PubChem (CID 54059485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).