2-fluoro-4-propan-2-yloxypyrimidin-5-amine

C7H10FN3O — CID 140515494

IUPAC2-fluoro-4-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1nc(F)ncc1N
InChIInChI=1S/C7H10FN3O/c1-4(2)12-6-5(9)3-10-7(8)11-6/h3-4H,9H2,1-2H3
InChIKeyBYUIJNVURCVRQR-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.99
Rot. Bonds2

About 2-fluoro-4-propan-2-yloxypyrimidin-5-amine

2-fluoro-4-propan-2-yloxypyrimidin-5-amine (PubChem CID 140515494) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yloxypyrimidin-5-amine
PubChem CID140515494
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name2-fluoro-4-propan-2-yloxypyrimidin-5-amine
SMILESCC(C)Oc1nc(F)ncc1N
InChIInChI=1S/C7H10FN3O/c1-4(2)12-6-5(9)3-10-7(8)11-6/h3-4H,9H2,1-2H3
InChIKeyBYUIJNVURCVRQR-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 2-fluoro-4-propan-2-yloxypyrimidin-5-amine?
The IUPAC name of 2-fluoro-4-propan-2-yloxypyrimidin-5-amine (CID 140515494) is 2-fluoro-4-propan-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 2-fluoro-4-propan-2-yloxypyrimidin-5-amine?
The canonical SMILES for 2-fluoro-4-propan-2-yloxypyrimidin-5-amine is CC(C)Oc1nc(F)ncc1N.
What is the InChIKey of 2-fluoro-4-propan-2-yloxypyrimidin-5-amine?
The InChIKey is BYUIJNVURCVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-4(2)12-6-5(9)3-10-7(8)11-6/h3-4H,9H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yloxypyrimidin-5-amine?
2-fluoro-4-propan-2-yloxypyrimidin-5-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 2-fluoro-4-propan-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 140515494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).