2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one

C18H15N5O2 — CID 163215446

IUPAC2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccccc2)o1
InChIInChI=1S/C18H15N5O2/c1-11-7-8-13(25-11)15-16-17(22-18(19)21-15)23(14(24)9-20-16)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,21,22)
InChIKeyKHYXCTKKSFTXSV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.39
Rot. Bonds3

About 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one

2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one (PubChem CID 163215446) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one
PubChem CID163215446
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccccc2)o1
InChIInChI=1S/C18H15N5O2/c1-11-7-8-13(25-11)15-16-17(22-18(19)21-15)23(14(24)9-20-16)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,21,22)
InChIKeyKHYXCTKKSFTXSV-UHFFFAOYSA-N
XLogP2.39
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one?
The IUPAC name of 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one (CID 163215446) is 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one?
The canonical SMILES for 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccccc2)o1.
What is the InChIKey of 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one?
The InChIKey is KHYXCTKKSFTXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-7-8-13(25-11)15-16-17(22-18(19)21-15)23(14(24)9-20-16)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,21,22).
What are the key properties of 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one?
2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one has a molecular weight of 333.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-benzyl-4-(5-methylfuran-2-yl)pteridin-7-one is sourced from PubChem (CID 163215446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).