1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid

C11H12F3N3O2 — CID 64587007

IUPAC1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-6-15-9(16-7)17-10(8(18)19)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyURHBOMBIBACCGF-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.30
Rot. Bonds3

About 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid

1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid (PubChem CID 64587007) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
PubChem CID64587007
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2nccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-6-15-9(16-7)17-10(8(18)19)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,18,19)(H,15,16,17)
InChIKeyURHBOMBIBACCGF-UHFFFAOYSA-N
XLogP2.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid (CID 64587007) is 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2nccc(C(F)(F)F)n2)CCCC1.
What is the InChIKey of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is URHBOMBIBACCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-6-15-9(16-7)17-10(8(18)19)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,18,19)(H,15,16,17).
What are the key properties of 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 275.23 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64587007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).