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

C18H15N3O3 — CID 146344756

IUPAC2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C18H15N3O3/c1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21)
InChIKeyFMLBACWDZTXVDY-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.08
Rot. Bonds3

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

2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146344756) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146344756
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one
SMILESCc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(N)nc21
InChIInChI=1S/C18H15N3O3/c1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21)
InChIKeyFMLBACWDZTXVDY-UHFFFAOYSA-N
XLogP3.08
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.08
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-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one (CID 146344756) is 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is Cc1ccccc1CC1OC(=O)c2c(-c3ccco3)nc(N)nc21.
What is the InChIKey of 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is FMLBACWDZTXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-5-2-3-6-11(10)9-13-16-14(17(22)24-13)15(20-18(19)21-16)12-7-4-8-23-12/h2-8,13H,9H2,1H3,(H2,19,20,21).
What are the key properties of 2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one?
2-amino-4-(furan-2-yl)-7-[(2-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 321.34 g/mol, XLogP of 3.08, 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-methylphenyl)methyl]-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146344756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).