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

C20H18F2N2O3 — CID 53317467

IUPAC2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCCC2(c3ccccc3)CC2)c2c(=O)[nH]c(C(F)F)nc2o1
InChIInChI=1S/C20H18F2N2O3/c21-16(22)17-23-18(26)15-12(11-14(25)27-19(15)24-17)5-4-8-20(9-10-20)13-6-2-1-3-7-13/h1-3,6-7,11,16H,4-5,8-10H2,(H,23,24,26)
InChIKeyDKYRUKZCEHDDCS-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.87
Rot. Bonds6

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

2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53317467) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53317467
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC Name2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESO=c1cc(CCCC2(c3ccccc3)CC2)c2c(=O)[nH]c(C(F)F)nc2o1
InChIInChI=1S/C20H18F2N2O3/c21-16(22)17-23-18(26)15-12(11-14(25)27-19(15)24-17)5-4-8-20(9-10-20)13-6-2-1-3-7-13/h1-3,6-7,11,16H,4-5,8-10H2,(H,23,24,26)
InChIKeyDKYRUKZCEHDDCS-UHFFFAOYSA-N
XLogP3.87
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.87
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-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53317467) is 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is O=c1cc(CCCC2(c3ccccc3)CC2)c2c(=O)[nH]c(C(F)F)nc2o1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is DKYRUKZCEHDDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c21-16(22)17-23-18(26)15-12(11-14(25)27-19(15)24-17)5-4-8-20(9-10-20)13-6-2-1-3-7-13/h1-3,6-7,11,16H,4-5,8-10H2,(H,23,24,26).
What are the key properties of 2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(difluoromethyl)-5-[3-(1-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 372.37 g/mol, XLogP of 3.87, 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-phenylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53317467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).