4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one

C8H12FN3O2 — CID 130330273

IUPAC4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCC(C)OCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-5(2)14-4-12-3-6(9)7(10)11-8(12)13/h3,5H,4H2,1-2H3,(H2,10,11,13)
InChIKeySCUHQROSKSMFJT-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.35
Rot. Bonds3

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

4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one (PubChem CID 130330273) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
PubChem CID130330273
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one
SMILESCC(C)OCn1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O2/c1-5(2)14-4-12-3-6(9)7(10)11-8(12)13/h3,5H,4H2,1-2H3,(H2,10,11,13)
InChIKeySCUHQROSKSMFJT-UHFFFAOYSA-N
XLogP0.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

Analyze 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isopropyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138312
ethyl 4-amino-5-fluoro-2-oxopyrimidine-1(2H)-carboxylate
CID 58138315
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-5-fluoro-1-(propoxymethyl)pyrimidin-2-one
CID 71215793
4-Amino-1-(ethoxymethyl)-5-fluoropyrimidin-2-one
CID 130330204
4-Amino-5-fluoro-1-(1-propan-2-yloxyethyl)pyrimidin-2-one
CID 143827367
(1-Methylpropoxymethyl) cytosine
CID 129706758
4-(1-Ethoxyethenylamino)-5-fluoro-1-methylpyrimidin-2-one
CID 142441010
N-[(E)-3-amino-2-fluoro-3-methyliminoprop-1-enyl]-N-(1-propan-2-yloxyethyl)formamide
CID 143827387
4-Amino-1-(propan-2-yloxymethyl)pyrimidin-2-one
CID 19021661
4-Amino-5-methyl-1-(propoxymethyl)pyrimidin-2-one
CID 142901246

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one (CID 130330273) is 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one is CC(C)OCn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one?
The InChIKey is SCUHQROSKSMFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-5(2)14-4-12-3-6(9)7(10)11-8(12)13/h3,5H,4H2,1-2H3,(H2,10,11,13).
What are the key properties of 4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one?
4-amino-5-fluoro-1-(propan-2-yloxymethyl)pyrimidin-2-one has a molecular weight of 201.20 g/mol, XLogP of 0.35, 3 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-(propan-2-yloxymethyl)pyrimidin-2-one is sourced from PubChem (CID 130330273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).