2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione

C8H10FN3O2 — CID 80550750

IUPAC2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC(C1=NC(=O)C(F)C(=O)N1)C1CC1
InChIInChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3-5H,1-2,10H2,(H,11,12,13,14)
InChIKeyBLPBNPMOLAUTHZ-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.88
Rot. Bonds2

About 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione

2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione (PubChem CID 80550750) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
PubChem CID80550750
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
SMILESNC(C1=NC(=O)C(F)C(=O)N1)C1CC1
InChIInChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3-5H,1-2,10H2,(H,11,12,13,14)
InChIKeyBLPBNPMOLAUTHZ-UHFFFAOYSA-N
XLogP-0.88
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione 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

2-(2-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550492
2-(1-aminopropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550601
2-(1-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
2-(1-amino-2-methylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550695
2-(1-amino-2,2-dimethylpropyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550724
5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550852
5-fluoro-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550945
2-[(cyclopropylamino)methyl]-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550948
2-(1-aminoethyl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998013
2-(1-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998055
2-[amino(cyclopropyl)methyl]-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998060
2-[amino(cyclopropyl)methyl]-5-propyl-1H-pyrimidine-4,6-dione
CID 76998061

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione (CID 80550750) is 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione is NC(C1=NC(=O)C(F)C(=O)N1)C1CC1.
What is the InChIKey of 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
The InChIKey is BLPBNPMOLAUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c9-4-7(13)11-6(12-8(4)14)5(10)3-1-2-3/h3-5H,1-2,10H2,(H,11,12,13,14).
What are the key properties of 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione?
2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione has a molecular weight of 199.19 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclopropyl)methyl]-5-fluoro-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 80550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).