6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione

C7H12N4O2 — CID 824291

IUPAC6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(N)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-11(8)5-4-6(12)10(2)7(13)9-5/h4H,3,8H2,1-2H3,(H,9,13)
InChIKeyUXSNECLHMLYNNE-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.23
Rot. Bonds2

About 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione

6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 824291) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID824291
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCCN(N)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-11(8)5-4-6(12)10(2)7(13)9-5/h4H,3,8H2,1-2H3,(H,9,13)
InChIKeyUXSNECLHMLYNNE-UHFFFAOYSA-N
XLogP-1.23
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione (CID 824291) is 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione is CCN(N)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UXSNECLHMLYNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-11(8)5-4-6(12)10(2)7(13)9-5/h4H,3,8H2,1-2H3,(H,9,13).
What are the key properties of 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione?
6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.20 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(ethyl)amino]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 824291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).