4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine

C14H11Cl2FN2 — CID 63355073

IUPAC4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
SMILESFc1ccc(Cc2nc(Cl)cc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2/c15-11-6-10(17)4-3-9(11)5-14-18-12(8-1-2-8)7-13(16)19-14/h3-4,6-8H,1-2,5H2
InChIKeyHQTFGMALEGKKFC-UHFFFAOYSA-N
MW297.16 g/mol
LogP4.39
Rot. Bonds3

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

4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine (PubChem CID 63355073) has the molecular formula C14H11Cl2FN2 and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
PubChem CID63355073
Molecular FormulaC14H11Cl2FN2
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine
SMILESFc1ccc(Cc2nc(Cl)cc(C3CC3)n2)c(Cl)c1
InChIInChI=1S/C14H11Cl2FN2/c15-11-6-10(17)4-3-9(11)5-14-18-12(8-1-2-8)7-13(16)19-14/h3-4,6-8H,1-2,5H2
InChIKeyHQTFGMALEGKKFC-UHFFFAOYSA-N
XLogP4.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 54.39
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-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine (CID 63355073) is 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine is Fc1ccc(Cc2nc(Cl)cc(C3CC3)n2)c(Cl)c1.
What is the InChIKey of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine?
The InChIKey is HQTFGMALEGKKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2/c15-11-6-10(17)4-3-9(11)5-14-18-12(8-1-2-8)7-13(16)19-14/h3-4,6-8H,1-2,5H2.
What are the key properties of 4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine?
4-chloro-2-[(2-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine has a molecular weight of 297.16 g/mol, XLogP of 4.39, 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-chloro-4-fluorophenyl)methyl]-6-cyclopropylpyrimidine is sourced from PubChem (CID 63355073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).