4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

C17H13F2N3O — CID 127040095

IUPAC4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3O/c1-11-8-12(10-23-13-5-6-14(18)15(19)9-13)22-17(21-11)16-4-2-3-7-20-16/h2-9H,10H2,1H3
InChIKeyRXRRZFMNIJVJJF-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.70
Rot. Bonds4

About 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine

4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (PubChem CID 127040095) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
PubChem CID127040095
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine
SMILESCc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H13F2N3O/c1-11-8-12(10-23-13-5-6-14(18)15(19)9-13)22-17(21-11)16-4-2-3-7-20-16/h2-9H,10H2,1H3
InChIKeyRXRRZFMNIJVJJF-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine (CID 127040095) is 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is Cc1cc(COc2ccc(F)c(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
The InChIKey is RXRRZFMNIJVJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-11-8-12(10-23-13-5-6-14(18)15(19)9-13)22-17(21-11)16-4-2-3-7-20-16/h2-9H,10H2,1H3.
What are the key properties of 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine?
4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine has a molecular weight of 313.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenoxy)methyl]-6-methyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 127040095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).