2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide

C7H8N6O2 — CID 135915291

IUPAC2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide
SMILESNC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C7H8N6O2/c8-4(14)2-1-10-5-3(11-2)6(15)13-7(9)12-5/h1H2,(H2,8,14)(H4,9,10,12,13,15)
InChIKeyDLTHRVDCJOFAHC-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.66
Rot. Bonds1

About 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide

2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide (PubChem CID 135915291) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide
PubChem CID135915291
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide
SMILESNC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C7H8N6O2/c8-4(14)2-1-10-5-3(11-2)6(15)13-7(9)12-5/h1H2,(H2,8,14)(H4,9,10,12,13,15)
InChIKeyDLTHRVDCJOFAHC-UHFFFAOYSA-N
XLogP-1.66
TPSA139.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide?
The IUPAC name of 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide (CID 135915291) is 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide.
What is the SMILES notation for 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide?
The canonical SMILES for 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide is NC(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide?
The InChIKey is DLTHRVDCJOFAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c8-4(14)2-1-10-5-3(11-2)6(15)13-7(9)12-5/h1H2,(H2,8,14)(H4,9,10,12,13,15).
What are the key properties of 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide?
2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide has a molecular weight of 208.18 g/mol, XLogP of -1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-7,8-dihydro-3H-pteridine-6-carboxamide is sourced from PubChem (CID 135915291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).