2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine

C11H10FN3O — CID 123194935

IUPAC2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine
SMILESNc1ccnc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-16-11-14-6-5-10(13)15-11/h1-6H,7H2,(H2,13,14,15)
InChIKeyBJYLWBHGMRFDBL-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.78
Rot. Bonds3

About 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine

2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine (PubChem CID 123194935) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine
PubChem CID123194935
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine
SMILESNc1ccnc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-16-11-14-6-5-10(13)15-11/h1-6H,7H2,(H2,13,14,15)
InChIKeyBJYLWBHGMRFDBL-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 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine (CID 123194935) is 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine is Nc1ccnc(OCc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine?
The InChIKey is BJYLWBHGMRFDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)7-16-11-14-6-5-10(13)15-11/h1-6H,7H2,(H2,13,14,15).
What are the key properties of 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine?
2-[(4-fluorophenyl)methoxy]pyrimidin-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 2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 123194935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).