N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C7H8FN3O3 — CID 68808935

IUPACN-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCF)c1=O
InChIInChI=1S/C7H8FN3O3/c1-11-6(13)4(2-9-7(11)14)5(12)10-3-8/h2H,3H2,1H3,(H,9,14)(H,10,12)
InChIKeyGKSJMJLCTQGYPU-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.27
Rot. Bonds2

About N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 68808935) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID68808935
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC NameN-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NCF)c1=O
InChIInChI=1S/C7H8FN3O3/c1-11-6(13)4(2-9-7(11)14)5(12)10-3-8/h2H,3H2,1H3,(H,9,14)(H,10,12)
InChIKeyGKSJMJLCTQGYPU-UHFFFAOYSA-N
XLogP-1.27
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 68808935) is N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NCF)c1=O.
What is the InChIKey of N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GKSJMJLCTQGYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-11-6(13)4(2-9-7(11)14)5(12)10-3-8/h2H,3H2,1H3,(H,9,14)(H,10,12).
What are the key properties of N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 201.16 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 68808935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).