1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione

C8H11FN2O3 — CID 10442823

IUPAC1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-5-3-11(4-6(12)2-9)8(14)10-7(5)13/h3,6,12H,2,4H2,1H3,(H,10,13,14)
InChIKeyHCAYIRANUDCJLE-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.82
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione

1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione (PubChem CID 10442823) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
PubChem CID10442823
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-5-3-11(4-6(12)2-9)8(14)10-7(5)13/h3,6,12H,2,4H2,1H3,(H,10,13,14)
InChIKeyHCAYIRANUDCJLE-UHFFFAOYSA-N
XLogP-0.82
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 566009
1-[(E)-3-fluoro-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
CID 10081944
Acq2hmx3P6
CID 12803290
(S)-3-(2,3-Dihydroxypropyl)thymine
CID 12803292
(R)-1-(2,3-Dihydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 15957687
1-(3-Azido-2-hydroxypropyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 135557
2-Hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462760
1-(4-Hydroxybut-2-ynyl)-5-methylpyrimidine-2,4-dione
CID 14768759
1-(2,3-Dihydroxypropyl)thymine
CID 10104232
1-(3-Hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 14449531
1-(Hydroxymethyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 18704140
Oxyethylthymine
CID 19831611

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione (CID 10442823) is 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC(O)CF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is HCAYIRANUDCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-5-3-11(4-6(12)2-9)8(14)10-7(5)13/h3,6,12H,2,4H2,1H3,(H,10,13,14).
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione?
1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10442823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).