6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

C20H19F4N7 — CID 155196399

IUPAC6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESFc1cc(C(F)(F)F)ccc1CNc1nc(Nc2cc(C3CC3)[nH]n2)nc(C2CC2)n1
InChIInChI=1S/C20H19F4N7/c21-14-7-13(20(22,23)24)6-5-12(14)9-25-18-27-17(11-3-4-11)28-19(29-18)26-16-8-15(30-31-16)10-1-2-10/h5-8,10-11H,1-4,9H2,(H3,25,26,27,28,29,30,31)
InChIKeyFXCLRSNKFYIJPJ-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.86
Rot. Bonds7

About 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine

6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 155196399) has the molecular formula C20H19F4N7 and a molecular weight of 433.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID155196399
Molecular FormulaC20H19F4N7
Molecular Weight433.41 g/mol
Exact Mass433.16
IUPAC Name6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESFc1cc(C(F)(F)F)ccc1CNc1nc(Nc2cc(C3CC3)[nH]n2)nc(C2CC2)n1
InChIInChI=1S/C20H19F4N7/c21-14-7-13(20(22,23)24)6-5-12(14)9-25-18-27-17(11-3-4-11)28-19(29-18)26-16-8-15(30-31-16)10-1-2-10/h5-8,10-11H,1-4,9H2,(H3,25,26,27,28,29,30,31)
InChIKeyFXCLRSNKFYIJPJ-UHFFFAOYSA-N
XLogP4.86
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine (CID 155196399) is 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is Fc1cc(C(F)(F)F)ccc1CNc1nc(Nc2cc(C3CC3)[nH]n2)nc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FXCLRSNKFYIJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7/c21-14-7-13(20(22,23)24)6-5-12(14)9-25-18-27-17(11-3-4-11)28-19(29-18)26-16-8-15(30-31-16)10-1-2-10/h5-8,10-11H,1-4,9H2,(H3,25,26,27,28,29,30,31).
What are the key properties of 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine?
6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 433.41 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155196399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).