oxalic acid;pyrimidine-2,4-diamine

C6H8N4O4 — CID 69114148

IUPACoxalic acid;pyrimidine-2,4-diamine
SMILESNc1ccnc(N)n1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N4.C2H2O4/c5-3-1-2-7-4(6)8-3;3-1(4)2(5)6/h1-2H,(H4,5,6,7,8);(H,3,4)(H,5,6)
InChIKeyWNNCPZVLNIRWNK-UHFFFAOYSA-N
MW200.15 g/mol
LogP-1.20
Rot. Bonds

About oxalic acid;pyrimidine-2,4-diamine

oxalic acid;pyrimidine-2,4-diamine (PubChem CID 69114148) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is oxalic acid;pyrimidine-2,4-diamine.

Molecular Properties

Compound Nameoxalic acid;pyrimidine-2,4-diamine
PubChem CID69114148
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Nameoxalic acid;pyrimidine-2,4-diamine
SMILESNc1ccnc(N)n1.O=C(O)C(=O)O
InChIInChI=1S/C4H6N4.C2H2O4/c5-3-1-2-7-4(6)8-3;3-1(4)2(5)6/h1-2H,(H4,5,6,7,8);(H,3,4)(H,5,6)
InChIKeyWNNCPZVLNIRWNK-UHFFFAOYSA-N
XLogP-1.20
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;pyrimidine-2,4-diamine?
The IUPAC name of oxalic acid;pyrimidine-2,4-diamine (CID 69114148) is oxalic acid;pyrimidine-2,4-diamine.
What is the SMILES notation for oxalic acid;pyrimidine-2,4-diamine?
The canonical SMILES for oxalic acid;pyrimidine-2,4-diamine is Nc1ccnc(N)n1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;pyrimidine-2,4-diamine?
The InChIKey is WNNCPZVLNIRWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.C2H2O4/c5-3-1-2-7-4(6)8-3;3-1(4)2(5)6/h1-2H,(H4,5,6,7,8);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pyrimidine-2,4-diamine?
oxalic acid;pyrimidine-2,4-diamine has a molecular weight of 200.15 g/mol, XLogP of -1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pyrimidine-2,4-diamine is sourced from PubChem (CID 69114148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).