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

C8H15ClN4O2 — CID 13387155

IUPAC6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(NCCN)cc(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2.ClH/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14;/h5,10H,3-4,9H2,1-2H3;1H
InChIKeyKGTNWPXXRSGRFB-UHFFFAOYSA-N
MW234.69 g/mol
LogP-1.12
Rot. Bonds3

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

6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 13387155) has the molecular formula C8H15ClN4O2 and a molecular weight of 234.69 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
PubChem CID13387155
Molecular FormulaC8H15ClN4O2
Molecular Weight234.69 g/mol
Exact Mass234.09
IUPAC Name6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1c(NCCN)cc(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2.ClH/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14;/h5,10H,3-4,9H2,1-2H3;1H
InChIKeyKGTNWPXXRSGRFB-UHFFFAOYSA-N
XLogP-1.12
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 5-1.12
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;hydrochloride?
The IUPAC name of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride (CID 13387155) is 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1c(NCCN)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is KGTNWPXXRSGRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.ClH/c1-11-6(10-4-3-9)5-7(13)12(2)8(11)14;/h5,10H,3-4,9H2,1-2H3;1H.
What are the key properties of 6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride?
6-(2-aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 234.69 g/mol, XLogP of -1.12, 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;hydrochloride is sourced from PubChem (CID 13387155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).