N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

C12H13F4N5O2 — CID 154844904

IUPACN-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(F)CNc1nccc(-n2ccnc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H12FN5.C2HF3O2/c1-8(11)6-14-10-13-3-2-9(15-10)16-5-4-12-7-16;3-2(4,5)1(6)7/h2-5,7-8H,6H2,1H3,(H,13,14,15);(H,6,7)
InChIKeySEWBFRALUCMMAF-UHFFFAOYSA-N
MW335.26 g/mol
LogP2.07
Rot. Bonds4

About N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 154844904) has the molecular formula C12H13F4N5O2 and a molecular weight of 335.26 g/mol. Its IUPAC name is N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID154844904
Molecular FormulaC12H13F4N5O2
Molecular Weight335.26 g/mol
Exact Mass335.10
IUPAC NameN-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCC(F)CNc1nccc(-n2ccnc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H12FN5.C2HF3O2/c1-8(11)6-14-10-13-3-2-9(15-10)16-5-4-12-7-16;3-2(4,5)1(6)7/h2-5,7-8H,6H2,1H3,(H,13,14,15);(H,6,7)
InChIKeySEWBFRALUCMMAF-UHFFFAOYSA-N
XLogP2.07
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 154844904) is N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is CC(F)CNc1nccc(-n2ccnc2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is SEWBFRALUCMMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5.C2HF3O2/c1-8(11)6-14-10-13-3-2-9(15-10)16-5-4-12-7-16;3-2(4,5)1(6)7/h2-5,7-8H,6H2,1H3,(H,13,14,15);(H,6,7).
What are the key properties of N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 335.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-4-imidazol-1-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154844904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).