4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one

C8H12FN3O2 — CID 71215793

IUPAC4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
SMILESCCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-2-3-14-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13)
InChIKeyPZADKIQRCOUZBQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.35
Rot. Bonds4

About 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one

4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one (PubChem CID 71215793) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
PubChem CID71215793
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
SMILESCCCOCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-2-3-14-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13)
InChIKeyPZADKIQRCOUZBQ-UHFFFAOYSA-N
XLogP0.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethoxymethyl)cytosine
CID 15954377
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-2-oxopyrimidin-1-yl)methyl butanoate
CID 58166399
4-Amino-5-fluoro-1-(2-methoxyethoxymethyl)pyrimidin-2-one
CID 58166418
2-methylpropyl N-(5-fluoro-1-methyl-2-oxopyrimidin-4-yl)carbamate
CID 58166431
4-Amino-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidin-2-one
CID 58166436
(4-Amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate
CID 58166456
4-Amino-1-(2-ethoxyethyl)-5-fluoropyrimidin-2-one
CID 58166475

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one (CID 71215793) is 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one is CCCOCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one?
The InChIKey is PZADKIQRCOUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-2-3-14-5-12-4-6(9)7(10)11-8(12)13/h4H,2-3,5H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one has a molecular weight of 201.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(propoxymethyl)pyrimidin-2-one is sourced from PubChem (CID 71215793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).