1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione

C10H15FN2O3 — CID 5272916

IUPAC1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCC(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)4-2-3-8(14)5-11/h6,8,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyBXZJMNHQNNQABL-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.04
Rot. Bonds5

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

1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione (PubChem CID 5272916) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione
PubChem CID5272916
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCCC(O)CF)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)4-2-3-8(14)5-11/h6,8,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyBXZJMNHQNNQABL-UHFFFAOYSA-N
XLogP-0.04
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5'-Deoxy-5'-fluorothymidine
CID 97675
2R,3s-1-[[1,3-Dihydroxy-4-fluoro-2-butoxy]methyl]thymine
CID 581104
1-[[(1S,2R)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione
CID 3011516
1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione
CID 3011517
(4-Hydroxy-2-oxo-butyl)thymine
CID 451945
1-(3,5-Dihydroxypent-1-yl)thymine
CID 452403
1-[[(1S,3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]-5-methyl-pyrimidine-2,4-dione
CID 479155
(1'S,2'R)-1-[[2-(Hydroxymethyl)cyclopropyl]methyl]thymine
CID 479229
1-[(3S)-3,5-dihydroxypentyl]-5-methyl-pyrimidine-2,4-dione
CID 503408
1-(2,5-Dideoxy-2-fluoro-beta-D-arabinofuranosyl)thymine
CID 515104
1-[(2R,3R,4S)-3-fluoro-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 44313182
1-[(1R,2R)-1-fluoro-2-(hydroxymethyl)-2-methylcyclopropyl]-5-methylpyrimidine-2,4-dione
CID 44426728

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione (CID 5272916) is 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CCCC(O)CF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is BXZJMNHQNNQABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)4-2-3-8(14)5-11/h6,8,14H,2-5H2,1H3,(H,12,15,16).
What are the key properties of 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione?
1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 230.24 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-hydroxypentyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5272916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).