2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C15H16F2N2O3 — CID 53317492

IUPAC2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1CC(CCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)C1
InChIInChI=1S/C15H16F2N2O3/c1-7-4-8(5-7)2-3-9-6-10(20)22-15-11(9)14(21)18-13(19-15)12(16)17/h6-8,12H,2-5H2,1H3,(H,18,19,21)
InChIKeyRMGXDZQEZREJNX-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.79
Rot. Bonds4

About 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 53317492) has the molecular formula C15H16F2N2O3 and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID53317492
Molecular FormulaC15H16F2N2O3
Molecular Weight310.30 g/mol
Exact Mass310.11
IUPAC Name2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC1CC(CCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)C1
InChIInChI=1S/C15H16F2N2O3/c1-7-4-8(5-7)2-3-9-6-10(20)22-15-11(9)14(21)18-13(19-15)12(16)17/h6-8,12H,2-5H2,1H3,(H,18,19,21)
InChIKeyRMGXDZQEZREJNX-UHFFFAOYSA-N
XLogP2.79
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[difluoromethyl-5-pentyl-4H-pyrano[2,3-d]pyrimidine-4,7(3H)-dione
CID 24954204
5-(2-cyclobutylethyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24954941
5-butyl-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955288
5-(2-cyclopropylethyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955294
2-(difluoromethyl)-5-hexyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955642
2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 24955646
4H-Pyrano[2,3-d]pyrimidine-4,7(3H)-dione, 5-(3-cyclopropylpropyl)-2-(difluoromethyl)-
CID 51346919
2-(difluoromethyl)-5-(3-(1-ethylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53318746
2-(difluoromethyl)-5-ethyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53318768
2-(difluoromethyl)-5-(3-(1-isopropylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53324034
2-(difluoromethyl)-5-(3-(1-fluorocyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53326591
5-(cyclobutylmethyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53317491

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 53317492) is 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC1CC(CCc2cc(=O)oc3nc(C(F)F)[nH]c(=O)c23)C1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is RMGXDZQEZREJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3/c1-7-4-8(5-7)2-3-9-6-10(20)22-15-11(9)14(21)18-13(19-15)12(16)17/h6-8,12H,2-5H2,1H3,(H,18,19,21).
What are the key properties of 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 310.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-(3-methylcyclobutyl)ethyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 53317492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).