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

C16H13N5O3 — CID 163215444

IUPAC2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccco2)o1
InChIInChI=1S/C16H13N5O3/c1-9-4-5-11(24-9)13-14-15(20-16(17)19-13)21(12(22)7-18-14)8-10-3-2-6-23-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyKONIIWKRLZETBJ-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.98
Rot. Bonds3

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

2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one (PubChem CID 163215444) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one.

Molecular Properties

Compound Name2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one
PubChem CID163215444
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one
SMILESCc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccco2)o1
InChIInChI=1S/C16H13N5O3/c1-9-4-5-11(24-9)13-14-15(20-16(17)19-13)21(12(22)7-18-14)8-10-3-2-6-23-10/h2-7H,8H2,1H3,(H2,17,19,20)
InChIKeyKONIIWKRLZETBJ-UHFFFAOYSA-N
XLogP1.98
TPSA112.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one?
The IUPAC name of 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one (CID 163215444) is 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one.
What is the SMILES notation for 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one?
The canonical SMILES for 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one is Cc1ccc(-c2nc(N)nc3c2ncc(=O)n3Cc2ccco2)o1.
What is the InChIKey of 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one?
The InChIKey is KONIIWKRLZETBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-9-4-5-11(24-9)13-14-15(20-16(17)19-13)21(12(22)7-18-14)8-10-3-2-6-23-10/h2-7H,8H2,1H3,(H2,17,19,20).
What are the key properties of 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one?
2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one has a molecular weight of 323.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(furan-2-ylmethyl)-4-(5-methylfuran-2-yl)pteridin-7-one is sourced from PubChem (CID 163215444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).