6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

C25H25N3O3 — CID 123489878

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C3=CC=CC=CC3)c(-c3ccc(C4(N)CCC4)cc3)oc2n(C)c1=O
InChIInChI=1S/C25H25N3O3/c1-27-22(29)20-19(16-8-5-3-4-6-9-16)21(31-23(20)28(2)24(27)30)17-10-12-18(13-11-17)25(26)14-7-15-25/h3-6,8,10-13H,7,9,14-15,26H2,1-2H3
InChIKeyFWVAZZZLUWYTNN-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.73
Rot. Bonds3

About 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione

6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (PubChem CID 123489878) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
PubChem CID123489878
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(C3=CC=CC=CC3)c(-c3ccc(C4(N)CCC4)cc3)oc2n(C)c1=O
InChIInChI=1S/C25H25N3O3/c1-27-22(29)20-19(16-8-5-3-4-6-9-16)21(31-23(20)28(2)24(27)30)17-10-12-18(13-11-17)25(26)14-7-15-25/h3-6,8,10-13H,7,9,14-15,26H2,1-2H3
InChIKeyFWVAZZZLUWYTNN-UHFFFAOYSA-N
XLogP3.73
TPSA83.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 71073494
(11Z)-13-deuterio-5,7-dimethyl-9-oxa-5,7-diazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),11,14,16-hexaene-4,6-dione
CID 11392711
6-[4-(1-aminocyclobutyl)phenyl]-2-(ethylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67206556
6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
CID 67207608
6-[4-(1-aminocyclobutyl)phenyl]-3-(2-methoxyethyl)-2-methylsulfanyl-5-phenylfuro[2,3-d]pyrimidin-4-one;hydrochloride
CID 71073744
2-[6-[4-(1-aminocyclobutyl)phenyl]-2-methylsulfanyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-3-yl]acetonitrile
CID 52935353
5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
CID 117402567
2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-(1H-pyrazol-5-yl)furo[3,2-c]pyridin-4-one;2-[4-(1-aminocyclobutyl)phenyl]-5-methyl-3-phenyl-7-pyrimidin-5-ylfuro[3,2-c]pyridin-4-one
CID 161155723
6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione
CID 11739678
1-[4-(thietan-3-yl)phenyl]cyclobutan-1-amine
CID 117313476
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione (CID 123489878) is 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(C3=CC=CC=CC3)c(-c3ccc(C4(N)CCC4)cc3)oc2n(C)c1=O.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FWVAZZZLUWYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-27-22(29)20-19(16-8-5-3-4-6-9-16)21(31-23(20)28(2)24(27)30)17-10-12-18(13-11-17)25(26)14-7-15-25/h3-6,8,10-13H,7,9,14-15,26H2,1-2H3.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione?
6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione has a molecular weight of 415.49 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-5-cyclohepta-1,3,5-trien-1-yl-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 123489878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).