6-fluoro-2-phenylmethoxypyrimidin-4-amine

C11H10FN3O — CID 19610691

IUPAC6-fluoro-2-phenylmethoxypyrimidin-4-amine
SMILESNc1cc(F)nc(OCc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
InChIKeyMQFQVEPUIQONDS-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.78
Rot. Bonds3

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

6-fluoro-2-phenylmethoxypyrimidin-4-amine (PubChem CID 19610691) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 6-fluoro-2-phenylmethoxypyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-phenylmethoxypyrimidin-4-amine
PubChem CID19610691
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name6-fluoro-2-phenylmethoxypyrimidin-4-amine
SMILESNc1cc(F)nc(OCc2ccccc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
InChIKeyMQFQVEPUIQONDS-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 6-fluoro-2-phenylmethoxypyrimidin-4-amine?
The IUPAC name of 6-fluoro-2-phenylmethoxypyrimidin-4-amine (CID 19610691) is 6-fluoro-2-phenylmethoxypyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-2-phenylmethoxypyrimidin-4-amine?
The canonical SMILES for 6-fluoro-2-phenylmethoxypyrimidin-4-amine is Nc1cc(F)nc(OCc2ccccc2)n1.
What is the InChIKey of 6-fluoro-2-phenylmethoxypyrimidin-4-amine?
The InChIKey is MQFQVEPUIQONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15).
What are the key properties of 6-fluoro-2-phenylmethoxypyrimidin-4-amine?
6-fluoro-2-phenylmethoxypyrimidin-4-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 6-fluoro-2-phenylmethoxypyrimidin-4-amine is sourced from PubChem (CID 19610691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).