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

C16H18F2N2O3 — CID 53318746

IUPAC2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCC1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1
InChIInChI=1S/C16H18F2N2O3/c1-2-16(6-7-16)5-3-4-9-8-10(21)23-15-11(9)14(22)19-13(20-15)12(17)18/h8,12H,2-7H2,1H3,(H,19,20,22)
InChIKeyAXWBLHOWESRPRK-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.33
Rot. Bonds6

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

2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53318746) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53318746
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCCC1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1
InChIInChI=1S/C16H18F2N2O3/c1-2-16(6-7-16)5-3-4-9-8-10(21)23-15-11(9)14(22)19-13(20-15)12(17)18/h8,12H,2-7H2,1H3,(H,19,20,22)
InChIKeyAXWBLHOWESRPRK-UHFFFAOYSA-N
XLogP3.33
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53318746) is 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCC1(CCCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)CC1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is AXWBLHOWESRPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c1-2-16(6-7-16)5-3-4-9-8-10(21)23-15-11(9)14(22)19-13(20-15)12(17)18/h8,12H,2-7H2,1H3,(H,19,20,22).
What are the key properties of 2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(difluoromethyl)-5-[3-(1-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 324.33 g/mol, XLogP of 3.33, 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-ethylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53318746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).