4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one

C9H14FN3O2 — CID 5272913

IUPAC4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C(CF)CCCO)c(=O)n1
InChIInChI=1S/C9H14FN3O2/c10-6-7(2-1-5-14)13-4-3-8(11)12-9(13)15/h3-4,7,14H,1-2,5-6H2,(H2,11,12,15)
InChIKeyLCLHHILVPGQXMV-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.11
Rot. Bonds5

About 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one

4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one (PubChem CID 5272913) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one
PubChem CID5272913
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C(CF)CCCO)c(=O)n1
InChIInChI=1S/C9H14FN3O2/c10-6-7(2-1-5-14)13-4-3-8(11)12-9(13)15/h3-4,7,14H,1-2,5-6H2,(H2,11,12,15)
InChIKeyLCLHHILVPGQXMV-UHFFFAOYSA-N
XLogP0.11
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
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-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one (CID 5272913) is 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one is Nc1ccn(C(CF)CCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one?
The InChIKey is LCLHHILVPGQXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c10-6-7(2-1-5-14)13-4-3-8(11)12-9(13)15/h3-4,7,14H,1-2,5-6H2,(H2,11,12,15).
What are the key properties of 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one?
4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one has a molecular weight of 215.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-fluoro-5-hydroxypentan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 5272913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).