4-fluoro-6-phenylmethoxypyrimidin-2-amine

C11H10FN3O — CID 14717230

IUPAC4-fluoro-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(F)cc(OCc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
InChIKeyFJRWPRBKEQSFRD-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.78
Rot. Bonds3

About 4-fluoro-6-phenylmethoxypyrimidin-2-amine

4-fluoro-6-phenylmethoxypyrimidin-2-amine (PubChem CID 14717230) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-fluoro-6-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-phenylmethoxypyrimidin-2-amine
PubChem CID14717230
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-fluoro-6-phenylmethoxypyrimidin-2-amine
SMILESNc1nc(F)cc(OCc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
InChIKeyFJRWPRBKEQSFRD-UHFFFAOYSA-N
XLogP1.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-phenylmethoxypyrimidin-2-amine (CID 14717230) is 4-fluoro-6-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-phenylmethoxypyrimidin-2-amine is Nc1nc(F)cc(OCc2ccccc2)n1.
What is the InChIKey of 4-fluoro-6-phenylmethoxypyrimidin-2-amine?
The InChIKey is FJRWPRBKEQSFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-6-10(15-11(13)14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15).
What are the key properties of 4-fluoro-6-phenylmethoxypyrimidin-2-amine?
4-fluoro-6-phenylmethoxypyrimidin-2-amine has a molecular weight of 219.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 14717230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).