2-imino-4,5-dihydropyrimidine-3,5,6-triamine

C4H10N6 — CID 57316142

IUPAC2-imino-4,5-dihydropyrimidine-3,5,6-triamine
SMILES[H]/N=C1\N=C(N)C(N)CN1N
InChIInChI=1S/C4H10N6/c5-2-1-10(8)4(7)9-3(2)6/h2H,1,5,8H2,(H3,6,7,9)
InChIKeyLGKAGSSOWFHFKH-UHFFFAOYSA-N
MW142.17 g/mol
LogP-2.21
Rot. Bonds

About 2-imino-4,5-dihydropyrimidine-3,5,6-triamine

2-imino-4,5-dihydropyrimidine-3,5,6-triamine (PubChem CID 57316142) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-imino-4,5-dihydropyrimidine-3,5,6-triamine.

Molecular Properties

Compound Name2-imino-4,5-dihydropyrimidine-3,5,6-triamine
PubChem CID57316142
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC Name2-imino-4,5-dihydropyrimidine-3,5,6-triamine
SMILES[H]/N=C1\N=C(N)C(N)CN1N
InChIInChI=1S/C4H10N6/c5-2-1-10(8)4(7)9-3(2)6/h2H,1,5,8H2,(H3,6,7,9)
InChIKeyLGKAGSSOWFHFKH-UHFFFAOYSA-N
XLogP-2.21
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors4
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 ≤ 104

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 2-imino-4,5-dihydropyrimidine-3,5,6-triamine?
The IUPAC name of 2-imino-4,5-dihydropyrimidine-3,5,6-triamine (CID 57316142) is 2-imino-4,5-dihydropyrimidine-3,5,6-triamine.
What is the SMILES notation for 2-imino-4,5-dihydropyrimidine-3,5,6-triamine?
The canonical SMILES for 2-imino-4,5-dihydropyrimidine-3,5,6-triamine is [H]/N=C1\N=C(N)C(N)CN1N.
What is the InChIKey of 2-imino-4,5-dihydropyrimidine-3,5,6-triamine?
The InChIKey is LGKAGSSOWFHFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c5-2-1-10(8)4(7)9-3(2)6/h2H,1,5,8H2,(H3,6,7,9).
What are the key properties of 2-imino-4,5-dihydropyrimidine-3,5,6-triamine?
2-imino-4,5-dihydropyrimidine-3,5,6-triamine has a molecular weight of 142.17 g/mol, XLogP of -2.21, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-4,5-dihydropyrimidine-3,5,6-triamine is sourced from PubChem (CID 57316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).