4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one

C8H11F2N3O2 — CID 15659063

IUPAC4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one
SMILESNc1ccn(CC(F)(F)CCO)c(=O)n1
InChIInChI=1S/C8H11F2N3O2/c9-8(10,2-4-14)5-13-3-1-6(11)12-7(13)15/h1,3,14H,2,4-5H2,(H2,11,12,15)
InChIKeyRKJNYTVHVVXWQY-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.16
Rot. Bonds4

About 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one

4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one (PubChem CID 15659063) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one
PubChem CID15659063
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one
SMILESNc1ccn(CC(F)(F)CCO)c(=O)n1
InChIInChI=1S/C8H11F2N3O2/c9-8(10,2-4-14)5-13-3-1-6(11)12-7(13)15/h1,3,14H,2,4-5H2,(H2,11,12,15)
InChIKeyRKJNYTVHVVXWQY-UHFFFAOYSA-N
XLogP-0.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-[[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]pyrimidin-2-one
CID 479154
4-amino-1-[(1R,2R)-1-fluoro-2-(hydroxymethyl)-2-methylcyclopropyl]pyrimidin-2-one
CID 44426730
4-amino-1-[(1S,2R)-1-fluoro-2-(hydroxymethyl)-2-methylcyclopropyl]pyrimidin-2-one
CID 44426735
4-Amino-1-[1-(fluoromethyl)-4-hydroxy-butyl]pyrimidin-2-one
CID 5272913
4-Amino-1-(5-fluoro-4-hydroxy-pentyl)pyrimidin-2-one
CID 5272917
1-(3-Hydroxypropyl)cytosine
CID 56637796
4-Amino-1-(2,2,3,3-tetrafluoro-4-hydroxy-butyl)pyrimidin-2-one
CID 129908911
4-Amino-1-(2,2,3,3,4,4-hexafluoro-5-hydroxy-pentyl)pyrimidin-2-one
CID 129909670
4-Amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one
CID 15006314
4-amino-1-[(Z)-4-fluoro-3-(hydroxymethyl)but-3-enyl]pyrimidin-2-one
CID 10751072
4-amino-1-[(E)-4-fluoro-3-(hydroxymethyl)but-3-enyl]pyrimidin-2-one
CID 10798634
4-Amino-1-[4,4-difluoro-3-(hydroxymethyl)but-3-enyl]pyrimidin-2-one
CID 19363581

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one (CID 15659063) is 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one is Nc1ccn(CC(F)(F)CCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one?
The InChIKey is RKJNYTVHVVXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-8(10,2-4-14)5-13-3-1-6(11)12-7(13)15/h1,3,14H,2,4-5H2,(H2,11,12,15).
What are the key properties of 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one?
4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one has a molecular weight of 219.19 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-difluoro-4-hydroxybutyl)pyrimidin-2-one is sourced from PubChem (CID 15659063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).