5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine

C10H16FN3O — CID 116729227

IUPAC5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
SMILESCOC(c1nc(C)c(F)c(N)n1)C(C)C
InChIInChI=1S/C10H16FN3O/c1-5(2)8(15-4)10-13-6(3)7(11)9(12)14-10/h5,8H,1-4H3,(H2,12,13,14)
InChIKeyUPRGXTJZWZTWKK-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.85
Rot. Bonds3

About 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine

5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine (PubChem CID 116729227) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
PubChem CID116729227
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
SMILESCOC(c1nc(C)c(F)c(N)n1)C(C)C
InChIInChI=1S/C10H16FN3O/c1-5(2)8(15-4)10-13-6(3)7(11)9(12)14-10/h5,8H,1-4H3,(H2,12,13,14)
InChIKeyUPRGXTJZWZTWKK-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine (CID 116729227) is 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine is COC(c1nc(C)c(F)c(N)n1)C(C)C.
What is the InChIKey of 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine?
The InChIKey is UPRGXTJZWZTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-5(2)8(15-4)10-13-6(3)7(11)9(12)14-10/h5,8H,1-4H3,(H2,12,13,14).
What are the key properties of 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine?
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine has a molecular weight of 213.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 116729227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).