4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

C10H14FN3O2 — CID 14719402

IUPAC4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2CC(F)C(CO)C2)c(=O)n1
InChIInChI=1S/C10H14FN3O2/c11-8-4-7(3-6(8)5-15)14-2-1-9(12)13-10(14)16/h1-2,6-8,15H,3-5H2,(H2,12,13,16)
InChIKeyDTYCYAVEFIISMQ-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.11
Rot. Bonds2

About 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one (PubChem CID 14719402) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
PubChem CID14719402
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
SMILESNc1ccn(C2CC(F)C(CO)C2)c(=O)n1
InChIInChI=1S/C10H14FN3O2/c11-8-4-7(3-6(8)5-15)14-2-1-9(12)13-10(14)16/h1-2,6-8,15H,3-5H2,(H2,12,13,16)
InChIKeyDTYCYAVEFIISMQ-UHFFFAOYSA-N
XLogP0.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one (CID 14719402) is 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one is Nc1ccn(C2CC(F)C(CO)C2)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
The InChIKey is DTYCYAVEFIISMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-4-7(3-6(8)5-15)14-2-1-9(12)13-10(14)16/h1-2,6-8,15H,3-5H2,(H2,12,13,16).
What are the key properties of 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one?
4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one has a molecular weight of 227.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-fluoro-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one is sourced from PubChem (CID 14719402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).