1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione

C10H15FN2O3 — CID 5272912

IUPAC1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(CF)CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)8(5-11)3-2-4-14/h6,8,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyUHMBFKDZZFPPNI-UHFFFAOYSA-N
MW230.24 g/mol
LogP0.13
Rot. Bonds5

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

1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione (PubChem CID 5272912) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione
PubChem CID5272912
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(CF)CCCO)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)8(5-11)3-2-4-14/h6,8,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyUHMBFKDZZFPPNI-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 15077062
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
1-(3,3-Bishydroxymethylcyclobut-1-yl)-thymine
CID 453451
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-[(1R,4S)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-pyrimidine-2,4-dione
CID 5270779
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-pyrimidine-2,4-dione
CID 5278749
1-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-pyrimidine-2,4-dione
CID 11322409
1-[(1S,4S)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methyl-pyrimidine-2,4-dione
CID 16203676
1-[(3S,4S,5R)-4-fluoro-5-(hydroxymethyl)thiolan-3-yl]-5-methylpyrimidine-2,4-dione
CID 24764165
1-[(1R,4S)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
CID 44420913

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione (CID 5272912) is 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione is Cc1cn(C(CF)CCCO)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione?
The InChIKey is UHMBFKDZZFPPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-7-6-13(10(16)12-9(7)15)8(5-11)3-2-4-14/h6,8,14H,2-5H2,1H3,(H,12,15,16).
What are the key properties of 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione?
1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione has a molecular weight of 230.24 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-5-hydroxypentan-2-yl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5272912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).