N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine

C18H16FN3O — CID 697244

IUPACN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyCJCUDSNXWJATTI-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.33
Rot. Bonds5

About N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine

N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 697244) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID697244
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyCJCUDSNXWJATTI-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine (CID 697244) is N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is CJCUDSNXWJATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 697244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).