2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one

C19H16FN3O3 — CID 146344781

IUPAC2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3(C)Cc2ccccc2F)o1
InChIInChI=1S/C19H16FN3O3/c1-10-7-8-13(25-10)15-14-16(23-18(21)22-15)19(2,26-17(14)24)9-11-5-3-4-6-12(11)20/h3-8H,9H2,1-2H3,(H2,21,22,23)
InChIKeySJTRJLJQOSWEPA-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one

2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one (PubChem CID 146344781) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one
PubChem CID146344781
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one
SMILESCc1ccc(-c2nc(N)nc3c2C(=O)OC3(C)Cc2ccccc2F)o1
InChIInChI=1S/C19H16FN3O3/c1-10-7-8-13(25-10)15-14-16(23-18(21)22-15)19(2,26-17(14)24)9-11-5-3-4-6-12(11)20/h3-8H,9H2,1-2H3,(H2,21,22,23)
InChIKeySJTRJLJQOSWEPA-UHFFFAOYSA-N
XLogP3.39
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.39
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
4-(4-Fluorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75358127
4-(3-Methoxyphenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
CID 75359930
2-amino-7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
CID 146344757
(7E)-2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methylidene]pyrrolo[3,4-d]pyrimidin-5-one
CID 146344766
2-amino-4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-7H-furo[3,4-d]pyrimidin-5-one
CID 146344768
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-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-6-methyl-4-(5-methylfuran-2-yl)-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 146344777
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one (CID 146344781) is 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one is Cc1ccc(-c2nc(N)nc3c2C(=O)OC3(C)Cc2ccccc2F)o1.
What is the InChIKey of 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one?
The InChIKey is SJTRJLJQOSWEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-10-7-8-13(25-10)15-14-16(23-18(21)22-15)19(2,26-17(14)24)9-11-5-3-4-6-12(11)20/h3-8H,9H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one?
2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one has a molecular weight of 353.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[(2-fluorophenyl)methyl]-7-methyl-4-(5-methylfuran-2-yl)furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).