4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

C9H12FN3O2 — CID 3011518

IUPAC4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@]2(F)C[C@@H]2CO)c(=O)n1
InChIInChI=1S/C9H12FN3O2/c10-9(3-6(9)4-14)5-13-2-1-7(11)12-8(13)15/h1-2,6,14H,3-5H2,(H2,11,12,15)/t6-,9-/m1/s1
InChIKeyFMTDRDHBJYPERN-HZGVNTEJSA-N
MW213.21 g/mol
LogP-0.45
Rot. Bonds3

About 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one

4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one (PubChem CID 3011518) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
PubChem CID3011518
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
SMILESNc1ccn(C[C@]2(F)C[C@@H]2CO)c(=O)n1
InChIInChI=1S/C9H12FN3O2/c10-9(3-6(9)4-14)5-13-2-1-7(11)12-8(13)15/h1-2,6,14H,3-5H2,(H2,11,12,15)/t6-,9-/m1/s1
InChIKeyFMTDRDHBJYPERN-HZGVNTEJSA-N
XLogP-0.45
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one (CID 3011518) is 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one is Nc1ccn(C[C@]2(F)C[C@@H]2CO)c(=O)n1.
What is the InChIKey of 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
The InChIKey is FMTDRDHBJYPERN-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H12FN3O2/c10-9(3-6(9)4-14)5-13-2-1-7(11)12-8(13)15/h1-2,6,14H,3-5H2,(H2,11,12,15)/t6-,9-/m1/s1.
What are the key properties of 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one?
4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one has a molecular weight of 213.21 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one is sourced from PubChem (CID 3011518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).