4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine

C8H10FN3O — CID 89037245

IUPAC4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(C2CC2)c1F
InChIInChI=1S/C8H10FN3O/c1-13-7-5(9)6(4-2-3-4)11-8(10)12-7/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKeyJTVFLFHNYOWMTO-UHFFFAOYSA-N
MW183.19 g/mol
LogP1.08
Rot. Bonds2

About 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine

4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine (PubChem CID 89037245) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
PubChem CID89037245
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(C2CC2)c1F
InChIInChI=1S/C8H10FN3O/c1-13-7-5(9)6(4-2-3-4)11-8(10)12-7/h4H,2-3H2,1H3,(H2,10,11,12)
InChIKeyJTVFLFHNYOWMTO-UHFFFAOYSA-N
XLogP1.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine (CID 89037245) is 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine is COc1nc(N)nc(C2CC2)c1F.
What is the InChIKey of 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine?
The InChIKey is JTVFLFHNYOWMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-13-7-5(9)6(4-2-3-4)11-8(10)12-7/h4H,2-3H2,1H3,(H2,10,11,12).
What are the key properties of 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine?
4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine has a molecular weight of 183.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-fluoro-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 89037245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).