6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione

C10H15FN2O3 — CID 123864631

IUPAC6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(CC(CO)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyOHXHFKXQCMBBKV-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.50
Rot. Bonds4

About 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione

6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 123864631) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione
PubChem CID123864631
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(CC(CO)CF)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyOHXHFKXQCMBBKV-UHFFFAOYSA-N
XLogP-0.50
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione (CID 123864631) is 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione is Cc1c(CC(CO)CF)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is OHXHFKXQCMBBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-6-8(3-7(4-11)5-14)13(2)10(16)12-9(6)15/h7,14H,3-5H2,1-2H3,(H,12,15,16).
What are the key properties of 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione?
6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 230.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(fluoromethyl)-3-hydroxypropyl]-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 123864631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).