5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine

C12H10Cl3N3 — CID 114205364

IUPAC5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
SMILESCCc1nc(-c2ncc(Cl)cc2Cl)ncc1CCl
InChIInChI=1S/C12H10Cl3N3/c1-2-10-7(4-13)5-17-12(18-10)11-9(15)3-8(14)6-16-11/h3,5-6H,2,4H2,1H3
InChIKeyBRJVYWYXHRCTIP-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.15
Rot. Bonds3

About 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine

5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine (PubChem CID 114205364) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
PubChem CID114205364
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
SMILESCCc1nc(-c2ncc(Cl)cc2Cl)ncc1CCl
InChIInChI=1S/C12H10Cl3N3/c1-2-10-7(4-13)5-17-12(18-10)11-9(15)3-8(14)6-16-11/h3,5-6H,2,4H2,1H3
InChIKeyBRJVYWYXHRCTIP-UHFFFAOYSA-N
XLogP4.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine (CID 114205364) is 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine is CCc1nc(-c2ncc(Cl)cc2Cl)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine?
The InChIKey is BRJVYWYXHRCTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c1-2-10-7(4-13)5-17-12(18-10)11-9(15)3-8(14)6-16-11/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine?
5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine has a molecular weight of 302.59 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine is sourced from PubChem (CID 114205364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).