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

C4H10N6 — CID 54455749

IUPAC2-imino-4,5-dihydropyrimidine-3,4,6-triamine
SMILES[H]/N=C1\N=C(N)CC(N)N1N
InChIInChI=1S/C4H10N6/c5-2-1-3(6)10(8)4(7)9-2/h3H,1,6,8H2,(H3,5,7,9)
InChIKeyWYBISJTYEYSGLV-UHFFFAOYSA-N
MW142.17 g/mol
LogP-1.86
Rot. Bonds

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

2-imino-4,5-dihydropyrimidine-3,4,6-triamine (PubChem CID 54455749) has the molecular formula C4H10N6 and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-imino-4,5-dihydropyrimidine-3,4,6-triamine.

Molecular Properties

Compound Name2-imino-4,5-dihydropyrimidine-3,4,6-triamine
PubChem CID54455749
Molecular FormulaC4H10N6
Molecular Weight142.17 g/mol
Exact Mass142.10
IUPAC Name2-imino-4,5-dihydropyrimidine-3,4,6-triamine
SMILES[H]/N=C1\N=C(N)CC(N)N1N
InChIInChI=1S/C4H10N6/c5-2-1-3(6)10(8)4(7)9-2/h3H,1,6,8H2,(H3,5,7,9)
InChIKeyWYBISJTYEYSGLV-UHFFFAOYSA-N
XLogP-1.86
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 ≤ 5-1.86
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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Related Compounds

6-Imino-4,5-dihydropyrimidine-1,2,5-triamine
CID 53650310
2-Imino-4,5-dihydropyrimidine-3,6-diamine
CID 53755915
2-Imino-4,5-dihydropyrimidine-3,5,6-triamine
CID 57316142
5-Imino-4,6-dihydropyrimidine-1,2,6-triamine
CID 123927075
6-(3-aminopropyl)-2H-1,3,5-triazine-1,2,4-triamine
CID 153972262
4,6-bis(2-aminoethyl)-2H-1,3,5-triazine-1,2-diamine
CID 174741943
1-Amino-1-(3-aminopropyl)-3-(diaminomethylidene)guanidine
CID 174891232

Frequently Asked Questions

What is the IUPAC name of 2-imino-4,5-dihydropyrimidine-3,4,6-triamine?
The IUPAC name of 2-imino-4,5-dihydropyrimidine-3,4,6-triamine (CID 54455749) is 2-imino-4,5-dihydropyrimidine-3,4,6-triamine.
What is the SMILES notation for 2-imino-4,5-dihydropyrimidine-3,4,6-triamine?
The canonical SMILES for 2-imino-4,5-dihydropyrimidine-3,4,6-triamine is [H]/N=C1\N=C(N)CC(N)N1N.
What is the InChIKey of 2-imino-4,5-dihydropyrimidine-3,4,6-triamine?
The InChIKey is WYBISJTYEYSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N6/c5-2-1-3(6)10(8)4(7)9-2/h3H,1,6,8H2,(H3,5,7,9).
What are the key properties of 2-imino-4,5-dihydropyrimidine-3,4,6-triamine?
2-imino-4,5-dihydropyrimidine-3,4,6-triamine has a molecular weight of 142.17 g/mol, XLogP of -1.86, 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-3,4,6-triamine is sourced from PubChem (CID 54455749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).