6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione

C8H14N4O2 — CID 13387154

IUPAC6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCCN)cc(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14/h5,10H,3-4,9H2,1-2H3
InChIKeyWIWKFINWESOMJF-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.55
Rot. Bonds3

About 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione

6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 13387154) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID13387154
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(NCCN)cc(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14/h5,10H,3-4,9H2,1-2H3
InChIKeyWIWKFINWESOMJF-UHFFFAOYSA-N
XLogP-1.55
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione (CID 13387154) is 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(NCCN)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WIWKFINWESOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14/h5,10H,3-4,9H2,1-2H3.
What are the key properties of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 198.23 g/mol, XLogP of -1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 13387154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).