1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione

C7H12N6O2 — CID 68573559

IUPAC1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=C(N)C(N)(N)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H12N6O2/c1-4(8)7(9,10)12-13-3-2-5(14)11-6(13)15/h2-3,12H,1,8-10H2,(H,11,14,15)
InChIKeyAXXIDJDRKHYPRP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.88
Rot. Bonds3

About 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione

1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione (PubChem CID 68573559) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione
PubChem CID68573559
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione
SMILESC=C(N)C(N)(N)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H12N6O2/c1-4(8)7(9,10)12-13-3-2-5(14)11-6(13)15/h2-3,12H,1,8-10H2,(H,11,14,15)
InChIKeyAXXIDJDRKHYPRP-UHFFFAOYSA-N
XLogP-2.88
TPSA144.95 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione?
The IUPAC name of 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione (CID 68573559) is 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione is C=C(N)C(N)(N)Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione?
The InChIKey is AXXIDJDRKHYPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-4(8)7(9,10)12-13-3-2-5(14)11-6(13)15/h2-3,12H,1,8-10H2,(H,11,14,15).
What are the key properties of 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione?
1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione has a molecular weight of 212.21 g/mol, XLogP of -2.88, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-triaminoprop-2-enylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 68573559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).