4-(1-fluoroethyl)pyrimidine-5-carboxamide

C7H8FN3O — CID 70193247

IUPAC4-(1-fluoroethyl)pyrimidine-5-carboxamide
SMILESCC(F)c1ncncc1C(N)=O
InChIInChI=1S/C7H8FN3O/c1-4(8)6-5(7(9)12)2-10-3-11-6/h2-4H,1H3,(H2,9,12)
InChIKeyKIAPWWJLVJYBPB-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.61
Rot. Bonds2

About 4-(1-fluoroethyl)pyrimidine-5-carboxamide

4-(1-fluoroethyl)pyrimidine-5-carboxamide (PubChem CID 70193247) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is 4-(1-fluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1-fluoroethyl)pyrimidine-5-carboxamide
PubChem CID70193247
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name4-(1-fluoroethyl)pyrimidine-5-carboxamide
SMILESCC(F)c1ncncc1C(N)=O
InChIInChI=1S/C7H8FN3O/c1-4(8)6-5(7(9)12)2-10-3-11-6/h2-4H,1H3,(H2,9,12)
InChIKeyKIAPWWJLVJYBPB-UHFFFAOYSA-N
XLogP0.61
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(1-fluoroethyl)pyrimidine-5-carboxamide (CID 70193247) is 4-(1-fluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1-fluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1-fluoroethyl)pyrimidine-5-carboxamide is CC(F)c1ncncc1C(N)=O.
What is the InChIKey of 4-(1-fluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is KIAPWWJLVJYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c1-4(8)6-5(7(9)12)2-10-3-11-6/h2-4H,1H3,(H2,9,12).
What are the key properties of 4-(1-fluoroethyl)pyrimidine-5-carboxamide?
4-(1-fluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 169.16 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 70193247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).