2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid

C10H10F3N3O4 — CID 146154967

IUPAC2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNC1(c2ncc(C(=O)O)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3O2.C2HF3O2/c9-8(1-2-8)7-10-3-5(4-11-7)6(12)13;3-2(4,5)1(6)7/h3-4H,1-2,9H2,(H,12,13);(H,6,7)
InChIKeyJUTGQVLYNVJGFQ-UHFFFAOYSA-N
MW293.20 g/mol
LogP0.76
Rot. Bonds2

About 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid

2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 146154967) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID146154967
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESNC1(c2ncc(C(=O)O)cn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9N3O2.C2HF3O2/c9-8(1-2-8)7-10-3-5(4-11-7)6(12)13;3-2(4,5)1(6)7/h3-4H,1-2,9H2,(H,12,13);(H,6,7)
InChIKeyJUTGQVLYNVJGFQ-UHFFFAOYSA-N
XLogP0.76
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid (CID 146154967) is 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid is NC1(c2ncc(C(=O)O)cn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JUTGQVLYNVJGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.C2HF3O2/c9-8(1-2-8)7-10-3-5(4-11-7)6(12)13;3-2(4,5)1(6)7/h3-4H,1-2,9H2,(H,12,13);(H,6,7).
What are the key properties of 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid?
2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 293.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)pyrimidine-5-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146154967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).