N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide

C8H10FN3O2 — CID 140723002

IUPACN-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(CF)NC(=O)c1ccncn1
InChIInChI=1S/C8H10FN3O2/c1-14-7(4-9)12-8(13)6-2-3-10-5-11-6/h2-3,5,7H,4H2,1H3,(H,12,13)
InChIKeyDEVFGVBNMDXAML-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.15
Rot. Bonds4

About N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide

N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 140723002) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID140723002
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC NameN-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOC(CF)NC(=O)c1ccncn1
InChIInChI=1S/C8H10FN3O2/c1-14-7(4-9)12-8(13)6-2-3-10-5-11-6/h2-3,5,7H,4H2,1H3,(H,12,13)
InChIKeyDEVFGVBNMDXAML-UHFFFAOYSA-N
XLogP0.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide (CID 140723002) is N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide is COC(CF)NC(=O)c1ccncn1.
What is the InChIKey of N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is DEVFGVBNMDXAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-14-7(4-9)12-8(13)6-2-3-10-5-11-6/h2-3,5,7H,4H2,1H3,(H,12,13).
What are the key properties of N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide?
N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 199.19 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-1-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 140723002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).