2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide

C7H8F2N4O — CID 107551209

IUPAC2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)F)n1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-14-7-12-2-1-4(13-7)6(10)11/h1-2,5H,3H2,(H3,10,11)
InChIKeyRFEVMXZHZLWMJA-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.40
Rot. Bonds4

About 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide

2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide (PubChem CID 107551209) has the molecular formula C7H8F2N4O and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide
PubChem CID107551209
Molecular FormulaC7H8F2N4O
Molecular Weight202.16 g/mol
Exact Mass202.07
IUPAC Name2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(OCC(F)F)n1
InChIInChI=1S/C7H8F2N4O/c8-5(9)3-14-7-12-2-1-4(13-7)6(10)11/h1-2,5H,3H2,(H3,10,11)
InChIKeyRFEVMXZHZLWMJA-UHFFFAOYSA-N
XLogP0.40
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide (CID 107551209) is 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(OCC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide?
The InChIKey is RFEVMXZHZLWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N4O/c8-5(9)3-14-7-12-2-1-4(13-7)6(10)11/h1-2,5H,3H2,(H3,10,11).
What are the key properties of 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide?
2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide has a molecular weight of 202.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107551209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).