N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

C12H14F3N5O2 — CID 146121168

IUPACN-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCCn1cc(Nc2nccc(C)n2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N5.C2HF3O2/c1-3-15-7-9(6-12-15)14-10-11-5-4-8(2)13-10;3-2(4,5)1(6)7/h4-7H,3H2,1-2H3,(H,11,13,14);(H,6,7)
InChIKeyRSYDPYPAFUAUMN-UHFFFAOYSA-N
MW317.27 g/mol
LogP2.38
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid

N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 146121168) has the molecular formula C12H14F3N5O2 and a molecular weight of 317.27 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID146121168
Molecular FormulaC12H14F3N5O2
Molecular Weight317.27 g/mol
Exact Mass317.11
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESCCn1cc(Nc2nccc(C)n2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H13N5.C2HF3O2/c1-3-15-7-9(6-12-15)14-10-11-5-4-8(2)13-10;3-2(4,5)1(6)7/h4-7H,3H2,1-2H3,(H,11,13,14);(H,6,7)
InChIKeyRSYDPYPAFUAUMN-UHFFFAOYSA-N
XLogP2.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 146121168) is N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is CCn1cc(Nc2nccc(C)n2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is RSYDPYPAFUAUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.C2HF3O2/c1-3-15-7-9(6-12-15)14-10-11-5-4-8(2)13-10;3-2(4,5)1(6)7/h4-7H,3H2,1-2H3,(H,11,13,14);(H,6,7).
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid?
N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 317.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-methylpyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146121168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).