4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one

C7H10FN3O2 — CID 15006314

IUPAC4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CC(F)CO)c(=O)n1
InChIInChI=1S/C7H10FN3O2/c8-5(4-12)3-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13)
InChIKeyYDQSKZSTYXTOQT-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.84
Rot. Bonds3

About 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one

4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one (PubChem CID 15006314) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one
PubChem CID15006314
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one
SMILESNc1ccn(CC(F)CO)c(=O)n1
InChIInChI=1S/C7H10FN3O2/c8-5(4-12)3-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13)
InChIKeyYDQSKZSTYXTOQT-UHFFFAOYSA-N
XLogP-0.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one (CID 15006314) is 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one is Nc1ccn(CC(F)CO)c(=O)n1.
What is the InChIKey of 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one?
The InChIKey is YDQSKZSTYXTOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c8-5(4-12)3-11-2-1-6(9)10-7(11)13/h1-2,5,12H,3-4H2,(H2,9,10,13).
What are the key properties of 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one?
4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one has a molecular weight of 187.17 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 15006314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).