2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C17H20F2N2O3 — CID 53324034

About 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53324034) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• PubChem CID: 53324034
• Molecular Formula: C17H20F2N2O3
• Molecular Weight: 338.35 g/mol
• Exact Mass: 338.14
• IUPAC Name: 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• SMILES: CC(C)C1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1
• InChI: InChI=1S/C17H20F2N2O3/c1-9(2)17(6-7-17)5-3-4-10-8-11(22)24-16-12(10)15(23)20-14(21-16)13(18)19/h8-9,13H,3-7H2,1-2H3,(H,20,21,23)
• InChIKey: ZMVJDVWBFCCFRQ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 75.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.35
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The IUPAC name of 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53324034) is 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

What is the SMILES notation for 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The canonical SMILES for 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(C)C1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1.

What is the InChIKey of 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The InChIKey is ZMVJDVWBFCCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-9(2)17(6-7-17)5-3-4-10-8-11(22)24-16-12(10)15(23)20-14(21-16)13(18)19/h8-9,13H,3-7H2,1-2H3,(H,20,21,23).

What are the key properties of 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 338.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53324034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).