6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine

C19H17F2N3O — CID 146094050

IUPAC6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(Oc3ccc(F)cc3)cc2)c1F
InChIInChI=1S/C19H17F2N3O/c1-2-17-18(21)19(24-12-23-17)22-11-13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyNFXNLVMZCMGKJQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.72
Rot. Bonds6

About 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine

6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine (PubChem CID 146094050) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
PubChem CID146094050
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccc(Oc3ccc(F)cc3)cc2)c1F
InChIInChI=1S/C19H17F2N3O/c1-2-17-18(21)19(24-12-23-17)22-11-13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyNFXNLVMZCMGKJQ-UHFFFAOYSA-N
XLogP4.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine (CID 146094050) is 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine is CCc1ncnc(NCc2ccc(Oc3ccc(F)cc3)cc2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is NFXNLVMZCMGKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-2-17-18(21)19(24-12-23-17)22-11-13-3-7-15(8-4-13)25-16-9-5-14(20)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,23,24).
What are the key properties of 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine?
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 341.36 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 146094050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).