4-chloro-2-(2-phenylethyl)pyrimidine

C12H11ClN2 — CID 61385554

IUPAC4-chloro-2-(2-phenylethyl)pyrimidine
SMILESClc1ccnc(CCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2/c13-11-8-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyQHMYIIBCWBRSEC-UHFFFAOYSA-N
MW218.69 g/mol
LogP2.92
Rot. Bonds3

About 4-chloro-2-(2-phenylethyl)pyrimidine

4-chloro-2-(2-phenylethyl)pyrimidine (PubChem CID 61385554) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-phenylethyl)pyrimidine
PubChem CID61385554
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-2-(2-phenylethyl)pyrimidine
SMILESClc1ccnc(CCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2/c13-11-8-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyQHMYIIBCWBRSEC-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 52.92
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-phenylethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-phenylethyl)pyrimidine (CID 61385554) is 4-chloro-2-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-phenylethyl)pyrimidine is Clc1ccnc(CCc2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(2-phenylethyl)pyrimidine?
The InChIKey is QHMYIIBCWBRSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-11-8-9-14-12(15-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 4-chloro-2-(2-phenylethyl)pyrimidine?
4-chloro-2-(2-phenylethyl)pyrimidine has a molecular weight of 218.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 61385554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).