2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide

C12H10N6O3 — CID 135566547

IUPAC2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide
SMILESNc1nc2nc(C(=O)NCc3ccco3)cnc2c(=O)[nH]1
InChIInChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)
InChIKeyUUEDARIHQQJVFX-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.18
Rot. Bonds3

About 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide

2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide (PubChem CID 135566547) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide
PubChem CID135566547
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide
SMILESNc1nc2nc(C(=O)NCc3ccco3)cnc2c(=O)[nH]1
InChIInChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20)
InChIKeyUUEDARIHQQJVFX-UHFFFAOYSA-N
XLogP-0.18
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide?
The IUPAC name of 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide (CID 135566547) is 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide.
What is the SMILES notation for 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide?
The canonical SMILES for 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide is Nc1nc2nc(C(=O)NCc3ccco3)cnc2c(=O)[nH]1.
What is the InChIKey of 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide?
The InChIKey is UUEDARIHQQJVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c13-12-17-9-8(11(20)18-12)14-5-7(16-9)10(19)15-4-6-2-1-3-21-6/h1-3,5H,4H2,(H,15,19)(H3,13,16,17,18,20).
What are the key properties of 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide?
2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide has a molecular weight of 286.25 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-2-ylmethyl)-4-oxo-3H-pteridine-7-carboxamide is sourced from PubChem (CID 135566547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).