N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

C19H17F4N5O2 — CID 139268007

About N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 139268007) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
• PubChem CID: 139268007
• Molecular Formula: C19H17F4N5O2
• Molecular Weight: 423.37 g/mol
• Exact Mass: 423.13
• IUPAC Name: N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
• SMILES: O=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)NC(c2ncccn2)N1
• InChI: InChI=1S/C19H17F4N5O2/c20-12-8-10(2-3-11(12)19(21,22)23)18(4-5-18)28-17(30)13-9-14(29)27-16(26-13)15-24-6-1-7-25-15/h1-3,6-8,13,16,26H,4-5,9H2,(H,27,29)(H,28,30)
• InChIKey: PNKUIULZSQPKJK-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 96.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.37
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?

The IUPAC name of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (CID 139268007) is N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

What is the SMILES notation for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?

The canonical SMILES for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is O=C1CC(C(=O)NC2(c3ccc(C(F)(F)F)c(F)c3)CC2)NC(c2ncccn2)N1.

What is the InChIKey of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?

The InChIKey is PNKUIULZSQPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c20-12-8-10(2-3-11(12)19(21,22)23)18(4-5-18)28-17(30)13-9-14(29)27-16(26-13)15-24-6-1-7-25-15/h1-3,6-8,13,16,26H,4-5,9H2,(H,27,29)(H,28,30).

What are the key properties of N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?

N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 423.37 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).