6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride

C23H22ClN3O3 — CID 71073494

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H21N3O3.ClH/c1-26-21(27)18-17(14-6-3-2-4-7-14)19(29-20(18)25-22(26)28)15-8-10-16(11-9-15)23(24)12-5-13-23;/h2-4,6-11H,5,12-13,24H2,1H3,(H,25,28);1H
InChIKeyGJEUQDVBOBTPKX-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.91
Rot. Bonds3

About 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride

6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride (PubChem CID 71073494) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
PubChem CID71073494
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(=O)[nH]c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O
InChIInChI=1S/C23H21N3O3.ClH/c1-26-21(27)18-17(14-6-3-2-4-7-14)19(29-20(18)25-22(26)28)15-8-10-16(11-9-15)23(24)12-5-13-23;/h2-4,6-11H,5,12-13,24H2,1H3,(H,25,28);1H
InChIKeyGJEUQDVBOBTPKX-UHFFFAOYSA-N
XLogP3.91
TPSA94.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

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-[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
2-[6-[4-(1-aminocyclobutyl)phenyl]-2-methylsulfanyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-3-yl]acetonitrile
CID 52935353
7-[4-(1-aminocyclobutyl)phenyl]-1-methyl-8-phenylpyrano[2,3-e]benzimidazol-6-one
CID 51030517
3-[4-(1-aminocyclobutyl)phenyl]-8-methyl-2-phenylpyrano[2,3-c]pyridin-4-one
CID 67067831
1-[4-(2,4-dimethoxy-5-phenylfuro[2,3-d]pyrimidin-6-yl)phenyl]cyclobutan-1-amine
CID 67205742
3-[4-(1-aminocyclobutyl)phenyl]-2-phenyl-8-(1H-pyrazol-4-yl)chromen-4-one;hydrochloride
CID 67067845
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
7-[4-(1-aminocyclobutyl)phenyl]-3-iodo-8-phenyl-2H-pyrano[3,2-g]indazol-6-one
CID 51030518
1-[4-(3-phenylfuro[2,3-b]pyridin-2-yl)phenyl]cyclobutan-1-amine
CID 52933258

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride (CID 71073494) is 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(=O)[nH]c2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c1=O.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
The InChIKey is GJEUQDVBOBTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3.ClH/c1-26-21(27)18-17(14-6-3-2-4-7-14)19(29-20(18)25-22(26)28)15-8-10-16(11-9-15)23(24)12-5-13-23;/h2-4,6-11H,5,12-13,24H2,1H3,(H,25,28);1H.
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride?
6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-3-methyl-5-phenyl-1H-furo[2,3-d]pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 71073494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).