6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine

C11H11FN4O — CID 10752147

IUPAC6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C11H11FN4O/c12-8-3-1-7(2-4-8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyPOEPCWZFUSJCOV-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.36
Rot. Bonds3

About 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine

6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine (PubChem CID 10752147) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine
PubChem CID10752147
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine
SMILESNc1cc(OCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C11H11FN4O/c12-8-3-1-7(2-4-8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H4,13,14,15,16)
InChIKeyPOEPCWZFUSJCOV-UHFFFAOYSA-N
XLogP1.36
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine (CID 10752147) is 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine is Nc1cc(OCc2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine?
The InChIKey is POEPCWZFUSJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-8-3-1-7(2-4-8)6-17-10-5-9(13)15-11(14)16-10/h1-5H,6H2,(H4,13,14,15,16).
What are the key properties of 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine?
6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine has a molecular weight of 234.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 10752147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).