N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

C10H13F3N4O2 — CID 175112065

IUPACN-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H12N4.C2HF3O2/c1-3-10-8(11-4-1)12-7-2-5-9-6-7;3-2(4,5)1(6)7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12);(H,6,7)
InChIKeyXEUKMRFLIWNJPR-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.88
Rot. Bonds2

About N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 175112065) has the molecular formula C10H13F3N4O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID175112065
Molecular FormulaC10H13F3N4O2
Molecular Weight278.23 g/mol
Exact Mass278.10
IUPAC NameN-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(NC2CCNC2)nc1
InChIInChI=1S/C8H12N4.C2HF3O2/c1-3-10-8(11-4-1)12-7-2-5-9-6-7;3-2(4,5)1(6)7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12);(H,6,7)
InChIKeyXEUKMRFLIWNJPR-UHFFFAOYSA-N
XLogP0.88
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 175112065) is N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc(NC2CCNC2)nc1.
What is the InChIKey of N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is XEUKMRFLIWNJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4.C2HF3O2/c1-3-10-8(11-4-1)12-7-2-5-9-6-7;3-2(4,5)1(6)7/h1,3-4,7,9H,2,5-6H2,(H,10,11,12);(H,6,7).
What are the key properties of N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 278.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175112065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).