4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H19F3N8 — CID 140943284

IUPAC4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4c3cnn4C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N8/c1-9-12(24-16-22-7-11(17(18,19)20)15(21-2)25-16)8-28(26-9)14-5-4-13-10(14)6-23-27(13)3/h6-8,14H,4-5H2,1-3H3,(H2,21,22,24,25)
InChIKeyVAZPQNUDVNJUIP-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.05
Rot. Bonds4

About 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943284) has the molecular formula C17H19F3N8 and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943284
Molecular FormulaC17H19F3N8
Molecular Weight392.39 g/mol
Exact Mass392.17
IUPAC Name4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4c3cnn4C)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H19F3N8/c1-9-12(24-16-22-7-11(17(18,19)20)15(21-2)25-16)8-28(26-9)14-5-4-13-10(14)6-23-27(13)3/h6-8,14H,4-5H2,1-3H3,(H2,21,22,24,25)
InChIKeyVAZPQNUDVNJUIP-UHFFFAOYSA-N
XLogP3.05
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943284) is 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C3CCc4c3cnn4C)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is VAZPQNUDVNJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8/c1-9-12(24-16-22-7-11(17(18,19)20)15(21-2)25-16)8-28(26-9)14-5-4-13-10(14)6-23-27(13)3/h6-8,14H,4-5H2,1-3H3,(H2,21,22,24,25).
What are the key properties of 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 392.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[3-methyl-1-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).