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

C18H23FN2O3 — CID 58187468

IUPAC2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3(C(C)C)CC3)c2c(=O)[nH]1
InChIInChI=1S/C18H23FN2O3/c1-10(2)18(7-8-18)6-4-5-12-9-13(22)24-17-14(12)16(23)20-15(21-17)11(3)19/h9-11H,4-8H2,1-3H3,(H,20,21,23)
InChIKeyHBVBXYFTZFFGNY-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.67
Rot. Bonds6

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

2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187468) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187468
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione
SMILESCC(F)c1nc2oc(=O)cc(CCCC3(C(C)C)CC3)c2c(=O)[nH]1
InChIInChI=1S/C18H23FN2O3/c1-10(2)18(7-8-18)6-4-5-12-9-13(22)24-17-14(12)16(23)20-15(21-17)11(3)19/h9-11H,4-8H2,1-3H3,(H,20,21,23)
InChIKeyHBVBXYFTZFFGNY-UHFFFAOYSA-N
XLogP3.67
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-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-(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-(2-(3-methylcyclobutyl)ethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53317492
2-(difluoromethyl)-5-(3-(1-ethylcyclopropyl)propyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53318746
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
5-(3-cyclobutylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 53321396

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 58187468) is 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CC(F)c1nc2oc(=O)cc(CCCC3(C(C)C)CC3)c2c(=O)[nH]1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is HBVBXYFTZFFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-10(2)18(7-8-18)6-4-5-12-9-13(22)24-17-14(12)16(23)20-15(21-17)11(3)19/h9-11H,4-8H2,1-3H3,(H,20,21,23).
What are the key properties of 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione?
2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 334.39 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[3-(1-propan-2-ylcyclopropyl)propyl]-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).