2,3,4-triamino-1,2-dihydropyrimidin-6-one

C4H9N5O — CID 168758816

IUPAC2,3,4-triamino-1,2-dihydropyrimidin-6-one
SMILESNC1=CC(=O)NC(N)N1N
InChIInChI=1S/C4H9N5O/c5-2-1-3(10)8-4(6)9(2)7/h1,4H,5-7H2,(H,8,10)
InChIKeyAKGPPANVEDBBDX-UHFFFAOYSA-N
MW143.15 g/mol
LogP-2.67
Rot. Bonds

About 2,3,4-triamino-1,2-dihydropyrimidin-6-one

2,3,4-triamino-1,2-dihydropyrimidin-6-one (PubChem CID 168758816) has the molecular formula C4H9N5O and a molecular weight of 143.15 g/mol. Its IUPAC name is 2,3,4-triamino-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2,3,4-triamino-1,2-dihydropyrimidin-6-one
PubChem CID168758816
Molecular FormulaC4H9N5O
Molecular Weight143.15 g/mol
Exact Mass143.08
IUPAC Name2,3,4-triamino-1,2-dihydropyrimidin-6-one
SMILESNC1=CC(=O)NC(N)N1N
InChIInChI=1S/C4H9N5O/c5-2-1-3(10)8-4(6)9(2)7/h1,4H,5-7H2,(H,8,10)
InChIKeyAKGPPANVEDBBDX-UHFFFAOYSA-N
XLogP-2.67
TPSA110.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triamino-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2,3,4-triamino-1,2-dihydropyrimidin-6-one (CID 168758816) is 2,3,4-triamino-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2,3,4-triamino-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2,3,4-triamino-1,2-dihydropyrimidin-6-one is NC1=CC(=O)NC(N)N1N.
What is the InChIKey of 2,3,4-triamino-1,2-dihydropyrimidin-6-one?
The InChIKey is AKGPPANVEDBBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O/c5-2-1-3(10)8-4(6)9(2)7/h1,4H,5-7H2,(H,8,10).
What are the key properties of 2,3,4-triamino-1,2-dihydropyrimidin-6-one?
2,3,4-triamino-1,2-dihydropyrimidin-6-one has a molecular weight of 143.15 g/mol, XLogP of -2.67, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triamino-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 168758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).