1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid

C9H10FN3O2 — CID 104605992

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCC1
InChIInChI=1S/C9H10FN3O2/c10-6-4-11-8(12-5-6)13-9(7(14)15)2-1-3-9/h4-5H,1-3H2,(H,14,15)(H,11,12,13)
InChIKeyYKHLNOXBYYKKDZ-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.03
Rot. Bonds3

About 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid

1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 104605992) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID104605992
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCC1
InChIInChI=1S/C9H10FN3O2/c10-6-4-11-8(12-5-6)13-9(7(14)15)2-1-3-9/h4-5H,1-3H2,(H,14,15)(H,11,12,13)
InChIKeyYKHLNOXBYYKKDZ-UHFFFAOYSA-N
XLogP1.03
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid (CID 104605992) is 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid is O=C(O)C1(Nc2ncc(F)cn2)CCC1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is YKHLNOXBYYKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-4-11-8(12-5-6)13-9(7(14)15)2-1-3-9/h4-5H,1-3H2,(H,14,15)(H,11,12,13).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid?
1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 104605992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).