6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine

C19H19F3N6 — CID 155196380

About 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine (PubChem CID 155196380) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine
• PubChem CID: 155196380
• Molecular Formula: C19H19F3N6
• Molecular Weight: 388.40 g/mol
• Exact Mass: 388.16
• IUPAC Name: 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine
• SMILES: CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C19H19F3N6/c1-11(12-4-6-14(7-5-12)19(20,21)22)25-16-9-17(24-10-23-16)26-18-8-15(27-28-18)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,23,24,25,26,27,28)
• InChIKey: FXXSVUXVLJZGJV-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 78.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.40
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine?

The IUPAC name of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine (CID 155196380) is 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine?

The canonical SMILES for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(Nc2cc(C3CC3)[nH]n2)ncn1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine?

The InChIKey is FXXSVUXVLJZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-11(12-4-6-14(7-5-12)19(20,21)22)25-16-9-17(24-10-23-16)26-18-8-15(27-28-18)13-2-3-13/h4-11,13H,2-3H2,1H3,(H3,23,24,25,26,27,28).

What are the key properties of 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine?

6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine has a molecular weight of 388.40 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 155196380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).