4-fluoro-6-propan-2-yloxypyrimidin-2-amine

C7H10FN3O — CID 14717227

IUPAC4-fluoro-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(F)nc(N)n1
InChIInChI=1S/C7H10FN3O/c1-4(2)12-6-3-5(8)10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyDNBCYXBJSWTCNL-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.99
Rot. Bonds2

About 4-fluoro-6-propan-2-yloxypyrimidin-2-amine

4-fluoro-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 14717227) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-fluoro-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-fluoro-6-propan-2-yloxypyrimidin-2-amine
PubChem CID14717227
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name4-fluoro-6-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1cc(F)nc(N)n1
InChIInChI=1S/C7H10FN3O/c1-4(2)12-6-3-5(8)10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11)
InChIKeyDNBCYXBJSWTCNL-UHFFFAOYSA-N
XLogP0.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-fluoro-6-propan-2-yloxypyrimidin-2-amine (CID 14717227) is 4-fluoro-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-fluoro-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-fluoro-6-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1cc(F)nc(N)n1.
What is the InChIKey of 4-fluoro-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is DNBCYXBJSWTCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4(2)12-6-3-5(8)10-7(9)11-6/h3-4H,1-2H3,(H2,9,10,11).
What are the key properties of 4-fluoro-6-propan-2-yloxypyrimidin-2-amine?
4-fluoro-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 171.17 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 14717227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).