2,4-dichloro-6-(2-phenylethyl)pyrimidine

C12H10Cl2N2 — CID 22170046

IUPAC2,4-dichloro-6-(2-phenylethyl)pyrimidine
SMILESClc1cc(CCc2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLQROXLLINZAYQB-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.57
Rot. Bonds3

About 2,4-dichloro-6-(2-phenylethyl)pyrimidine

2,4-dichloro-6-(2-phenylethyl)pyrimidine (PubChem CID 22170046) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,4-dichloro-6-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(2-phenylethyl)pyrimidine
PubChem CID22170046
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2,4-dichloro-6-(2-phenylethyl)pyrimidine
SMILESClc1cc(CCc2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H10Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyLQROXLLINZAYQB-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(2-phenylethyl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(2-phenylethyl)pyrimidine (CID 22170046) is 2,4-dichloro-6-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(2-phenylethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(2-phenylethyl)pyrimidine is Clc1cc(CCc2ccccc2)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-(2-phenylethyl)pyrimidine?
The InChIKey is LQROXLLINZAYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-8-10(15-12(14)16-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 2,4-dichloro-6-(2-phenylethyl)pyrimidine?
2,4-dichloro-6-(2-phenylethyl)pyrimidine has a molecular weight of 253.13 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 22170046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).