4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine

C11H9ClFN3O — CID 107169142

IUPAC4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Cl)nc(N)n2)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-7(4-8(6)13)17-10-5-9(12)15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyLDKFPCOIUMRXJC-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.95
Rot. Bonds2

About 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine

4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine (PubChem CID 107169142) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
PubChem CID107169142
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine
SMILESCc1ccc(Oc2cc(Cl)nc(N)n2)cc1F
InChIInChI=1S/C11H9ClFN3O/c1-6-2-3-7(4-8(6)13)17-10-5-9(12)15-11(14)16-10/h2-5H,1H3,(H2,14,15,16)
InChIKeyLDKFPCOIUMRXJC-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine (CID 107169142) is 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine is Cc1ccc(Oc2cc(Cl)nc(N)n2)cc1F.
What is the InChIKey of 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine?
The InChIKey is LDKFPCOIUMRXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-6-2-3-7(4-8(6)13)17-10-5-9(12)15-11(14)16-10/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine?
4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-fluoro-4-methylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 107169142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).