5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

C10H15FN4O — CID 80844287

IUPAC5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H15FN4O/c1-16-6-7-2-3-15(5-7)9-8(11)4-13-10(12)14-9/h4,7H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyLMUVVXLJCILBNJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.67
Rot. Bonds3

About 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine

5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80844287) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80844287
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCOCC1CCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H15FN4O/c1-16-6-7-2-3-15(5-7)9-8(11)4-13-10(12)14-9/h4,7H,2-3,5-6H2,1H3,(H2,12,13,14)
InChIKeyLMUVVXLJCILBNJ-UHFFFAOYSA-N
XLogP0.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 80844287) is 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is COCC1CCN(c2nc(N)ncc2F)C1.
What is the InChIKey of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is LMUVVXLJCILBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-16-6-7-2-3-15(5-7)9-8(11)4-13-10(12)14-9/h4,7H,2-3,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 226.25 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80844287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).