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

C12H19FN4O — CID 80845049

IUPACN-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyPSBUERNUDULVPZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.52
Rot. Bonds5

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

N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 80845049) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID80845049
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCC(COC)C2)n1
InChIInChI=1S/C12H19FN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16)
InChIKeyPSBUERNUDULVPZ-UHFFFAOYSA-N
XLogP1.52
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine (CID 80845049) is N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is CCNc1ncc(F)c(N2CCC(COC)C2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is PSBUERNUDULVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-14-12-15-6-10(13)11(16-12)17-5-4-9(7-17)8-18-2/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80845049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).