5-imino-4,6-dihydropyrimidine-1,2,6-triamine

C4H10N6 — CID 123927075

IUPAC5-imino-4,6-dihydropyrimidine-1,2,6-triamine
SMILES[H]/N=C1\CN=C(N)N(N)C1N
InChIInChI=1S/C4H10N6/c5-2-1-9-4(7)10(8)3(2)6/h3,5H,1,6,8H2,(H2,7,9)/b5-2+
InChIKeyQDTDRJHFDOUBCL-GORDUTHDSA-N
MW142.17 g/mol
LogP-2.21
Rot. Bonds

About 5-imino-4,6-dihydropyrimidine-1,2,6-triamine

5-imino-4,6-dihydropyrimidine-1,2,6-triamine (PubChem CID 123927075) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-imino-4,6-dihydropyrimidine-1,2,6-triamine.

Molecular Properties

Compound Name5-imino-4,6-dihydropyrimidine-1,2,6-triamine
PubChem CID123927075
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC Name5-imino-4,6-dihydropyrimidine-1,2,6-triamine
SMILES[H]/N=C1\CN=C(N)N(N)C1N
InChIInChI=1S/C4H10N6/c5-2-1-9-4(7)10(8)3(2)6/h3,5H,1,6,8H2,(H2,7,9)/b5-2+
InChIKeyQDTDRJHFDOUBCL-GORDUTHDSA-N
XLogP-2.21
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-4,6-dihydropyrimidine-1,2,6-triamine?
The IUPAC name of 5-imino-4,6-dihydropyrimidine-1,2,6-triamine (CID 123927075) is 5-imino-4,6-dihydropyrimidine-1,2,6-triamine.
What is the SMILES notation for 5-imino-4,6-dihydropyrimidine-1,2,6-triamine?
The canonical SMILES for 5-imino-4,6-dihydropyrimidine-1,2,6-triamine is [H]/N=C1\CN=C(N)N(N)C1N.
What is the InChIKey of 5-imino-4,6-dihydropyrimidine-1,2,6-triamine?
The InChIKey is QDTDRJHFDOUBCL-GORDUTHDSA-N. The full InChI is InChI=1S/C4H10N6/c5-2-1-9-4(7)10(8)3(2)6/h3,5H,1,6,8H2,(H2,7,9)/b5-2+.
What are the key properties of 5-imino-4,6-dihydropyrimidine-1,2,6-triamine?
5-imino-4,6-dihydropyrimidine-1,2,6-triamine has a molecular weight of 142.17 g/mol, XLogP of -2.21, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4,6-dihydropyrimidine-1,2,6-triamine is sourced from PubChem (CID 123927075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).