7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C18H18F3N3O3 — CID 2112380

IUPAC7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc2n(CCC)c1=O
InChIInChI=1S/C18H18F3N3O3/c1-3-7-23-15-14(16(25)24(8-4-2)17(23)26)11(18(19,20)21)10-12(22-15)13-6-5-9-27-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyXFYSMYCMXGKFFR-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.66
Rot. Bonds5

About 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 2112380) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID2112380
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc2n(CCC)c1=O
InChIInChI=1S/C18H18F3N3O3/c1-3-7-23-15-14(16(25)24(8-4-2)17(23)26)11(18(19,20)21)10-12(22-15)13-6-5-9-27-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyXFYSMYCMXGKFFR-UHFFFAOYSA-N
XLogP3.66
TPSA70.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 2112380) is 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)c2c(C(F)(F)F)cc(-c3ccco3)nc2n(CCC)c1=O.
What is the InChIKey of 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XFYSMYCMXGKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-3-7-23-15-14(16(25)24(8-4-2)17(23)26)11(18(19,20)21)10-12(22-15)13-6-5-9-27-13/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 381.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-1,3-dipropyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2112380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).