1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione

C8H11FN2O3 — CID 14843055

IUPAC1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COCCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-6-4-11(5-14-3-2-9)8(13)10-7(6)12/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyGRUHUJLODIINJO-UHFFFAOYSA-N
MW202.18 g/mol
LogP-0.21
Rot. Bonds4

About 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione

1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 14843055) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID14843055
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Name1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(COCCF)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O3/c1-6-4-11(5-14-3-2-9)8(13)10-7(6)12/h4H,2-3,5H2,1H3,(H,10,12,13)
InChIKeyGRUHUJLODIINJO-UHFFFAOYSA-N
XLogP-0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
Stk771272
CID 4015329
3-(Thymin-1'-yl)-2-propenal
CID 6439704
2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(2-propynyl)-
CID 489882
Tetrahydrofuranylthymine
CID 267376
1-[(E)-3-fluoro-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
CID 10081944
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
CID 72358
1-(1-Butoxy-ethyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 2883397
1-Vinylthymine
CID 4652520
1-(2-Azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 14843058
1-Ethylthymine
CID 5246756

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione (CID 14843055) is 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(COCCF)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is GRUHUJLODIINJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-6-4-11(5-14-3-2-9)8(13)10-7(6)12/h4H,2-3,5H2,1H3,(H,10,12,13).
What are the key properties of 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione?
1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 202.18 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 14843055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).