2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

C18H12F3N3O3 — CID 146344768

IUPAC2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(C(F)(F)F)cc1)OC2=O
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-2-1-7-26-11/h1-7,12H,8H2,(H2,22,23,24)
InChIKeyVONNZKPHLVBHSH-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.79
Rot. Bonds3

About 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one

2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344768) has the molecular formula C18H12F3N3O3 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344768
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(C(F)(F)F)cc1)OC2=O
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-2-1-7-26-11/h1-7,12H,8H2,(H2,22,23,24)
InChIKeyVONNZKPHLVBHSH-UHFFFAOYSA-N
XLogP3.79
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 10445452
N-benzyl-4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 3242070
[4-(2-Furyl)-6-(trifluoromethyl)pyrimidin-2-yl](2-phenylethyl)amine
CID 4306095
4-(4-Fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75358127
2-amino-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344757
2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
CID 146344774
2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344775
2-amino-7-[(2-chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344776
2-amino-7-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344778
2-amino-7-[(2-fluorophenyl)methyl]-4-(furan-2-yl)-6-methyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 146344779
2-Amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one
CID 146344781
2-amino-7-[(2,6-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344782

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 146344768) is 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccc(C(F)(F)F)cc1)OC2=O.
What is the InChIKey of 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is VONNZKPHLVBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-2-1-7-26-11/h1-7,12H,8H2,(H2,22,23,24).
What are the key properties of 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 375.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).