4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine

C14H12ClFN2 — CID 63355441

IUPAC4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)cc(C3CC3)n2)cc1
InChIInChI=1S/C14H12ClFN2/c15-13-8-12(10-3-4-10)17-14(18-13)7-9-1-5-11(16)6-2-9/h1-2,5-6,8,10H,3-4,7H2
InChIKeyQGMIMNKSEDUESU-UHFFFAOYSA-N
MW262.72 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine

4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine (PubChem CID 63355441) has the molecular formula C14H12ClFN2 and a molecular weight of 262.72 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
PubChem CID63355441
Molecular FormulaC14H12ClFN2
Molecular Weight262.72 g/mol
Exact Mass262.07
IUPAC Name4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine
SMILESFc1ccc(Cc2nc(Cl)cc(C3CC3)n2)cc1
InChIInChI=1S/C14H12ClFN2/c15-13-8-12(10-3-4-10)17-14(18-13)7-9-1-5-11(16)6-2-9/h1-2,5-6,8,10H,3-4,7H2
InChIKeyQGMIMNKSEDUESU-UHFFFAOYSA-N
XLogP3.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine (CID 63355441) is 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine is Fc1ccc(Cc2nc(Cl)cc(C3CC3)n2)cc1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine?
The InChIKey is QGMIMNKSEDUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2/c15-13-8-12(10-3-4-10)17-14(18-13)7-9-1-5-11(16)6-2-9/h1-2,5-6,8,10H,3-4,7H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine?
4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine has a molecular weight of 262.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidine is sourced from PubChem (CID 63355441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).