4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one

C7H10FN3O2 — CID 130330204

IUPAC4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
SMILESCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C7H10FN3O2/c1-2-13-4-11-3-5(8)6(9)10-7(11)12/h3H,2,4H2,1H3,(H2,9,10,12)
InChIKeyWBQDNSOEOHJJSM-UHFFFAOYSA-N
MW187.17 g/mol
LogP-0.04
Rot. Bonds3

About 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one

4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one (PubChem CID 130330204) has the molecular formula C7H10FN3O2 and a molecular weight of 187.17 g/mol. Its IUPAC name is 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
PubChem CID130330204
Molecular FormulaC7H10FN3O2
Molecular Weight187.17 g/mol
Exact Mass187.08
IUPAC Name4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
SMILESCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C7H10FN3O2/c1-2-13-4-11-3-5(8)6(9)10-7(11)12/h3H,2,4H2,1H3,(H2,9,10,12)
InChIKeyWBQDNSOEOHJJSM-UHFFFAOYSA-N
XLogP-0.04
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Ethoxymethyl)cytosine
CID 15954377
4-amino-5-fluoro-1-methylpyrimidin-2(1H)-one
CID 255391
4-Amino-5-fluoro-1-(2-hydroxyethoxymethyl)pyrimidin-2-one
CID 44271599
isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
2-Methoxyethyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138320
Pentyl 4-amino-5-fluoro-2-oxopyrimidine-1-carboxylate
CID 58138326
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
4-Amino-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
CID 58166436
4-Amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
CID 58166475
4-Amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
methyl 4-amino-5-fluoro-2H-pyrimidine-1-carboxylate
CID 123583017

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one (CID 130330204) is 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one is CCOCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one?
The InChIKey is WBQDNSOEOHJJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O2/c1-2-13-4-11-3-5(8)6(9)10-7(11)12/h3H,2,4H2,1H3,(H2,9,10,12).
What are the key properties of 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one?
4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one has a molecular weight of 187.17 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 130330204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).