1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione

C11H10FN3O2 — CID 141041719

IUPAC1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(F)nc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C11H10FN3O2/c1-5-4-7(12)13-8-9(5)15(6-2-3-6)11(17)14-10(8)16/h4,6H,2-3H2,1H3,(H,14,16,17)
InChIKeyAICKJUMULHSZFV-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.87
Rot. Bonds1

About 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione

1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 141041719) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID141041719
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione
SMILESCc1cc(F)nc2c(=O)[nH]c(=O)n(C3CC3)c12
InChIInChI=1S/C11H10FN3O2/c1-5-4-7(12)13-8-9(5)15(6-2-3-6)11(17)14-10(8)16/h4,6H,2-3H2,1H3,(H,14,16,17)
InChIKeyAICKJUMULHSZFV-UHFFFAOYSA-N
XLogP0.87
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-6-fluoro-5-methylquinazoline-2,4-dione
CID 141041669
8-bromo-3-cyclopropyl-7-methylpurine-2,6-dione
CID 129249128
3-cyclopropyl-4,5-difluoro-1H-benzimidazol-2-one
CID 83415043
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10023582
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
7-[3-[amino(cyclopropyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione;hydrochloride
CID 10431617
3-cyclobutyl-6-methyl-1H-pyrimidine-2,4-dione
CID 69179314
3-(1,1-dioxothian-4-yl)-7-fluoro-1H-quinazoline-2,4-dione
CID 117261520
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
7-[3-[amino-(2-fluorophenyl)methyl]pyrrolidin-1-yl]-1-cyclopropyl-5,8-dimethylpyrido[4,3-d]pyrimidine-2,4-dione
CID 59074217
6-chloro-3-cyclopropyl-1H-pyrimidine-2,4-dione
CID 71480123

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione (CID 141041719) is 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione is Cc1cc(F)nc2c(=O)[nH]c(=O)n(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AICKJUMULHSZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-5-4-7(12)13-8-9(5)15(6-2-3-6)11(17)14-10(8)16/h4,6H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 235.22 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-8-methylpyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 141041719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).