1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide

C9H9ClFN3O — CID 166756948

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2nc(Cl)ncc2F)CCC1
InChIInChI=1S/C9H9ClFN3O/c10-8-13-4-5(11)6(14-8)9(7(12)15)2-1-3-9/h4H,1-3H2,(H2,12,15)
InChIKeyKWFCRBCHTGZMJN-UHFFFAOYSA-N
MW229.64 g/mol
LogP1.18
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide

1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide (PubChem CID 166756948) has the molecular formula C9H9ClFN3O and a molecular weight of 229.64 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide
PubChem CID166756948
Molecular FormulaC9H9ClFN3O
Molecular Weight229.64 g/mol
Exact Mass229.04
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2nc(Cl)ncc2F)CCC1
InChIInChI=1S/C9H9ClFN3O/c10-8-13-4-5(11)6(14-8)9(7(12)15)2-1-3-9/h4H,1-3H2,(H2,12,15)
InChIKeyKWFCRBCHTGZMJN-UHFFFAOYSA-N
XLogP1.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide (CID 166756948) is 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide is NC(=O)C1(c2nc(Cl)ncc2F)CCC1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide?
The InChIKey is KWFCRBCHTGZMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN3O/c10-8-13-4-5(11)6(14-8)9(7(12)15)2-1-3-9/h4H,1-3H2,(H2,12,15).
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide?
1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide has a molecular weight of 229.64 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 166756948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).