6-(2-fluoroethoxy)pyrimidine-4-carboxamide

C7H8FN3O2 — CID 175801232

IUPAC6-(2-fluoroethoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OCCF)ncn1
InChIInChI=1S/C7H8FN3O2/c8-1-2-13-6-3-5(7(9)12)10-4-11-6/h3-4H,1-2H2,(H2,9,12)
InChIKeyBJAYELBIOUONAY-UHFFFAOYSA-N
MW185.16 g/mol
LogP-0.08
Rot. Bonds4

About 6-(2-fluoroethoxy)pyrimidine-4-carboxamide

6-(2-fluoroethoxy)pyrimidine-4-carboxamide (PubChem CID 175801232) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 6-(2-fluoroethoxy)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroethoxy)pyrimidine-4-carboxamide
PubChem CID175801232
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name6-(2-fluoroethoxy)pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(OCCF)ncn1
InChIInChI=1S/C7H8FN3O2/c8-1-2-13-6-3-5(7(9)12)10-4-11-6/h3-4H,1-2H2,(H2,9,12)
InChIKeyBJAYELBIOUONAY-UHFFFAOYSA-N
XLogP-0.08
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroethoxy)pyrimidine-4-carboxamide (CID 175801232) is 6-(2-fluoroethoxy)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroethoxy)pyrimidine-4-carboxamide is NC(=O)c1cc(OCCF)ncn1.
What is the InChIKey of 6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
The InChIKey is BJAYELBIOUONAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-1-2-13-6-3-5(7(9)12)10-4-11-6/h3-4H,1-2H2,(H2,9,12).
What are the key properties of 6-(2-fluoroethoxy)pyrimidine-4-carboxamide?
6-(2-fluoroethoxy)pyrimidine-4-carboxamide has a molecular weight of 185.16 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethoxy)pyrimidine-4-carboxamide is sourced from PubChem (CID 175801232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).