4-N-(methylideneamino)pyrimidine-2,4,6-triamine

C5H8N6 — CID 68596948

IUPAC4-N-(methylideneamino)pyrimidine-2,4,6-triamine
SMILESC=NNc1cc(N)nc(N)n1
InChIInChI=1S/C5H8N6/c1-8-11-4-2-3(6)9-5(7)10-4/h2H,1H2,(H5,6,7,9,10,11)
InChIKeyWECCFZZORGNRHL-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.33
Rot. Bonds2

About 4-N-(methylideneamino)pyrimidine-2,4,6-triamine

4-N-(methylideneamino)pyrimidine-2,4,6-triamine (PubChem CID 68596948) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 4-N-(methylideneamino)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(methylideneamino)pyrimidine-2,4,6-triamine
PubChem CID68596948
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name4-N-(methylideneamino)pyrimidine-2,4,6-triamine
SMILESC=NNc1cc(N)nc(N)n1
InChIInChI=1S/C5H8N6/c1-8-11-4-2-3(6)9-5(7)10-4/h2H,1H2,(H5,6,7,9,10,11)
InChIKeyWECCFZZORGNRHL-UHFFFAOYSA-N
XLogP-0.33
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(methylideneamino)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(methylideneamino)pyrimidine-2,4,6-triamine (CID 68596948) is 4-N-(methylideneamino)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(methylideneamino)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(methylideneamino)pyrimidine-2,4,6-triamine is C=NNc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(methylideneamino)pyrimidine-2,4,6-triamine?
The InChIKey is WECCFZZORGNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c1-8-11-4-2-3(6)9-5(7)10-4/h2H,1H2,(H5,6,7,9,10,11).
What are the key properties of 4-N-(methylideneamino)pyrimidine-2,4,6-triamine?
4-N-(methylideneamino)pyrimidine-2,4,6-triamine has a molecular weight of 152.16 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(methylideneamino)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 68596948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).