2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

C10H10F3N7 — CID 156807319

IUPAC2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2cnn(C(F)(F)F)c2)Nc2[nH]ccc21
InChIInChI=1S/C10H10F3N7/c11-10(12,13)20-4-5(3-17-20)9(15)18-7(14)6-1-2-16-8(6)19-9/h1-4,16,19H,15H2,(H2,14,18)
InChIKeyJECBLPSQBIFASE-UHFFFAOYSA-N
MW285.23 g/mol
LogP0.59
Rot. Bonds1

About 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine

2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 156807319) has the molecular formula C10H10F3N7 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID156807319
Molecular FormulaC10H10F3N7
Molecular Weight285.23 g/mol
Exact Mass285.09
IUPAC Name2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2cnn(C(F)(F)F)c2)Nc2[nH]ccc21
InChIInChI=1S/C10H10F3N7/c11-10(12,13)20-4-5(3-17-20)9(15)18-7(14)6-1-2-16-8(6)19-9/h1-4,16,19H,15H2,(H2,14,18)
InChIKeyJECBLPSQBIFASE-UHFFFAOYSA-N
XLogP0.59
TPSA110.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 156807319) is 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is NC1=NC(N)(c2cnn(C(F)(F)F)c2)Nc2[nH]ccc21.
What is the InChIKey of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JECBLPSQBIFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7/c11-10(12,13)20-4-5(3-17-20)9(15)18-7(14)6-1-2-16-8(6)19-9/h1-4,16,19H,15H2,(H2,14,18).
What are the key properties of 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 285.23 g/mol, XLogP of 0.59, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)pyrazol-4-yl]-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 156807319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).