4,5-dihydropyrimidine-2,6-diamine

C4H8N4 — CID 13206811

IUPAC4,5-dihydropyrimidine-2,6-diamine
SMILESNC1=NC(N)=NCC1
InChIInChI=1S/C4H8N4/c5-3-1-2-7-4(6)8-3/h1-2H2,(H4,5,6,7,8)
InChIKeyIVZOZYWOHVWCFD-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.94
Rot. Bonds

About 4,5-dihydropyrimidine-2,6-diamine

4,5-dihydropyrimidine-2,6-diamine (PubChem CID 13206811) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 4,5-dihydropyrimidine-2,6-diamine.

Molecular Properties

Compound Name4,5-dihydropyrimidine-2,6-diamine
PubChem CID13206811
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name4,5-dihydropyrimidine-2,6-diamine
SMILESNC1=NC(N)=NCC1
InChIInChI=1S/C4H8N4/c5-3-1-2-7-4(6)8-3/h1-2H2,(H4,5,6,7,8)
InChIKeyIVZOZYWOHVWCFD-UHFFFAOYSA-N
XLogP-0.94
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydropyrimidine-2,6-diamine?
The IUPAC name of 4,5-dihydropyrimidine-2,6-diamine (CID 13206811) is 4,5-dihydropyrimidine-2,6-diamine.
What is the SMILES notation for 4,5-dihydropyrimidine-2,6-diamine?
The canonical SMILES for 4,5-dihydropyrimidine-2,6-diamine is NC1=NC(N)=NCC1.
What is the InChIKey of 4,5-dihydropyrimidine-2,6-diamine?
The InChIKey is IVZOZYWOHVWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-3-1-2-7-4(6)8-3/h1-2H2,(H4,5,6,7,8).
What are the key properties of 4,5-dihydropyrimidine-2,6-diamine?
4,5-dihydropyrimidine-2,6-diamine has a molecular weight of 112.14 g/mol, XLogP of -0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydropyrimidine-2,6-diamine is sourced from PubChem (CID 13206811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).