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

C18H12F3N3O3 — CID 146344786

IUPAC2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11/h1-7,12H,8H2,(H2,22,23,24)
InChIKeyULZCPXMQBCOGOW-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.79
Rot. Bonds3

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

2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344786) 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-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344786
Molecular FormulaC18H12F3N3O3
Molecular Weight375.31 g/mol
Exact Mass375.08
IUPAC Name2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESNc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O
InChIInChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11/h1-7,12H,8H2,(H2,22,23,24)
InChIKeyULZCPXMQBCOGOW-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 146344786) is 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is Nc1nc(-c2ccco2)c2c(n1)C(Cc1ccccc1C(F)(F)F)OC2=O.
What is the InChIKey of 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is ULZCPXMQBCOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O3/c19-18(20,21)10-5-2-1-4-9(10)8-12-15-13(16(25)27-12)14(23-17(22)24-15)11-6-3-7-26-11/h1-7,12H,8H2,(H2,22,23,24).
What are the key properties of 2-amino-4-(furan-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-4-(furan-2-yl)-7-[[2-(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-[[2-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).