4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine

C14H13ClF2N2 — CID 64559256

IUPAC4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cc2ccc(F)cc2F)nc(Cl)c1C
InChIInChI=1S/C14H13ClF2N2/c1-3-12-8(2)14(15)19-13(18-12)6-9-4-5-10(16)7-11(9)17/h4-5,7H,3,6H2,1-2H3
InChIKeyRPQCSAJMYQLCGT-UHFFFAOYSA-N
MW282.72 g/mol
LogP3.87
Rot. Bonds3

About 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine

4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine (PubChem CID 64559256) has the molecular formula C14H13ClF2N2 and a molecular weight of 282.72 g/mol. Its IUPAC name is 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine
PubChem CID64559256
Molecular FormulaC14H13ClF2N2
Molecular Weight282.72 g/mol
Exact Mass282.07
IUPAC Name4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cc2ccc(F)cc2F)nc(Cl)c1C
InChIInChI=1S/C14H13ClF2N2/c1-3-12-8(2)14(15)19-13(18-12)6-9-4-5-10(16)7-11(9)17/h4-5,7H,3,6H2,1-2H3
InChIKeyRPQCSAJMYQLCGT-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine (CID 64559256) is 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine is CCc1nc(Cc2ccc(F)cc2F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine?
The InChIKey is RPQCSAJMYQLCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2/c1-3-12-8(2)14(15)19-13(18-12)6-9-4-5-10(16)7-11(9)17/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine?
4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine has a molecular weight of 282.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,4-difluorophenyl)methyl]-6-ethyl-5-methylpyrimidine is sourced from PubChem (CID 64559256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).