5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine

C15H14ClFN2 — CID 114205468

IUPAC5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine
SMILESCc1cc(F)ccc1-c1ncc(CCl)c(C2CC2)n1
InChIInChI=1S/C15H14ClFN2/c1-9-6-12(17)4-5-13(9)15-18-8-11(7-16)14(19-15)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3
InChIKeySIOAMZCRRRKEDB-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.21
Rot. Bonds3

About 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine

5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine (PubChem CID 114205468) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine
PubChem CID114205468
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine
SMILESCc1cc(F)ccc1-c1ncc(CCl)c(C2CC2)n1
InChIInChI=1S/C15H14ClFN2/c1-9-6-12(17)4-5-13(9)15-18-8-11(7-16)14(19-15)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3
InChIKeySIOAMZCRRRKEDB-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine (CID 114205468) is 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine is Cc1cc(F)ccc1-c1ncc(CCl)c(C2CC2)n1.
What is the InChIKey of 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine?
The InChIKey is SIOAMZCRRRKEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c1-9-6-12(17)4-5-13(9)15-18-8-11(7-16)14(19-15)10-2-3-10/h4-6,8,10H,2-3,7H2,1H3.
What are the key properties of 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine?
5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine has a molecular weight of 276.74 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-cyclopropyl-2-(4-fluoro-2-methylphenyl)pyrimidine is sourced from PubChem (CID 114205468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).