3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione

C7H12N6O2 — CID 68573562

IUPAC3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESNC(N)=CC(N)Nn1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H12N6O2/c8-4(9)3-5(10)12-13-6(14)1-2-11-7(13)15/h1-3,5,12H,8-10H2,(H,11,15)
InChIKeyOUQSFTRHVIQTOP-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.88
Rot. Bonds3

About 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione

3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione (PubChem CID 68573562) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione
PubChem CID68573562
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione
SMILESNC(N)=CC(N)Nn1c(=O)cc[nH]c1=O
InChIInChI=1S/C7H12N6O2/c8-4(9)3-5(10)12-13-6(14)1-2-11-7(13)15/h1-3,5,12H,8-10H2,(H,11,15)
InChIKeyOUQSFTRHVIQTOP-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 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione (CID 68573562) is 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione is NC(N)=CC(N)Nn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is OUQSFTRHVIQTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c8-4(9)3-5(10)12-13-6(14)1-2-11-7(13)15/h1-3,5,12H,8-10H2,(H,11,15).
What are the key properties of 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione?
3-(1,3,3-triaminoprop-2-enylamino)-1H-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 3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68573562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).