1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione

C10H13FN2O3 — CID 3011517

IUPAC1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-6-3-13(9(16)12-8(6)15)5-10(11)2-7(10)4-14/h3,7,14H,2,4-5H2,1H3,(H,12,15,16)/t7-,10+/m0/s1
InChIKeyWOBHDQGLBAIWTH-OIBJUYFYSA-N
MW228.22 g/mol
LogP-0.43
Rot. Bonds3

About 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione

1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 3011517) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID3011517
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN2O3/c1-6-3-13(9(16)12-8(6)15)5-10(11)2-7(10)4-14/h3,7,14H,2,4-5H2,1H3,(H,12,15,16)/t7-,10+/m0/s1
InChIKeyWOBHDQGLBAIWTH-OIBJUYFYSA-N
XLogP-0.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione (CID 3011517) is 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C[C@]2(F)C[C@H]2CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WOBHDQGLBAIWTH-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-6-3-13(9(16)12-8(6)15)5-10(11)2-7(10)4-14/h3,7,14H,2,4-5H2,1H3,(H,12,15,16)/t7-,10+/m0/s1.
What are the key properties of 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione?
1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 228.22 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S,2S)-1-fluoro-2-(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3011517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).