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

C17H20F2N2O3 — CID 59343576

IUPAC2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(C)C1CC1CCCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12
InChIInChI=1S/C17H20F2N2O3/c1-8(2)11-6-9(11)4-3-5-10-7-12(22)24-17-13(10)16(23)20-15(21-17)14(18)19/h7-9,11,14H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyHFBBKUQSPARWHB-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.43
Rot. Bonds6

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

2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 59343576) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID59343576
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(C)C1CC1CCCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12
InChIInChI=1S/C17H20F2N2O3/c1-8(2)11-6-9(11)4-3-5-10-7-12(22)24-17-13(10)16(23)20-15(21-17)14(18)19/h7-9,11,14H,3-6H2,1-2H3,(H,20,21,23)
InChIKeyHFBBKUQSPARWHB-UHFFFAOYSA-N
XLogP3.43
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 59343576) is 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(C)C1CC1CCCc1cc(=O)oc2nc(C(F)F)[nH]c(=O)c12.
What is the InChIKey of 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HFBBKUQSPARWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c1-8(2)11-6-9(11)4-3-5-10-7-12(22)24-17-13(10)16(23)20-15(21-17)14(18)19/h7-9,11,14H,3-6H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(difluoromethyl)-5-[3-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 338.35 g/mol, XLogP of 3.43, 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-(2-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 59343576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).