N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

C12H19FN4O — CID 131929255

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCCN1CCC(CNc2ncc(F)c(OC)n2)C1
InChIInChI=1S/C12H19FN4O/c1-3-17-5-4-9(8-17)6-14-12-15-7-10(13)11(16-12)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyRBTAYVOFFPIDFD-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.38
Rot. Bonds5

About N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (PubChem CID 131929255) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
PubChem CID131929255
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
SMILESCCN1CCC(CNc2ncc(F)c(OC)n2)C1
InChIInChI=1S/C12H19FN4O/c1-3-17-5-4-9(8-17)6-14-12-15-7-10(13)11(16-12)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyRBTAYVOFFPIDFD-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine (CID 131929255) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is CCN1CCC(CNc2ncc(F)c(OC)n2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
The InChIKey is RBTAYVOFFPIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-3-17-5-4-9(8-17)6-14-12-15-7-10(13)11(16-12)18-2/h7,9H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine has a molecular weight of 254.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 131929255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).