1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide

C25H25F3N8O4 — CID 162615328

About 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide

1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide (PubChem CID 162615328) has the molecular formula C25H25F3N8O4 and a molecular weight of 558.52 g/mol. Its IUPAC name is 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 162615328
• Molecular Formula: C25H25F3N8O4
• Molecular Weight: 558.52 g/mol
• Exact Mass: 558.20
• IUPAC Name: 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide
• SMILES: CC=Nc1c(NC2(C(=O)Nc3cncc(-c4cnc(C)c(C(F)(F)F)c4)n3)CC2)c(=O)n(CC(C)=O)c(=O)n1C
• InChI: InChI=1S/C25H25F3N8O4/c1-5-30-20-19(21(38)36(12-13(2)37)23(40)35(20)4)34-24(6-7-24)22(39)33-18-11-29-10-17(32-18)15-8-16(25(26,27)28)14(3)31-9-15/h5,8-11,34H,6-7,12H2,1-4H3,(H,32,33,39)
• InChIKey: HJQSUKMIUCZVJK-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 153.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide (CID 162615328) is 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide is CC=Nc1c(NC2(C(=O)Nc3cncc(-c4cnc(C)c(C(F)(F)F)c4)n3)CC2)c(=O)n(CC(C)=O)c(=O)n1C.

What is the InChIKey of 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is HJQSUKMIUCZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O4/c1-5-30-20-19(21(38)36(12-13(2)37)23(40)35(20)4)34-24(6-7-24)22(39)33-18-11-29-10-17(32-18)15-8-16(25(26,27)28)14(3)31-9-15/h5,8-11,34H,6-7,12H2,1-4H3,(H,32,33,39).

What are the key properties of 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide?

1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 558.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[6-(ethylideneamino)-1-methyl-2,4-dioxo-3-(2-oxopropyl)pyrimidin-5-yl]amino]-N-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162615328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).