5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride

C8H15ClN4O2 — CID 71299790

IUPAC5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride
SMILESCCn1c(N)c(N)c(=O)n(CC)c1=O.Cl
InChIInChI=1S/C8H14N4O2.ClH/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H
InChIKeyUQWLJOFXKBZWCI-UHFFFAOYSA-N
MW234.69 g/mol
LogP-0.36
Rot. Bonds2

About 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride

5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride (PubChem CID 71299790) has the molecular formula C8H15ClN4O2 and a molecular weight of 234.69 g/mol. Its IUPAC name is 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride
PubChem CID71299790
Molecular FormulaC8H15ClN4O2
Molecular Weight234.69 g/mol
Exact Mass234.09
IUPAC Name5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride
SMILESCCn1c(N)c(N)c(=O)n(CC)c1=O.Cl
InChIInChI=1S/C8H14N4O2.ClH/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H
InChIKeyUQWLJOFXKBZWCI-UHFFFAOYSA-N
XLogP-0.36
TPSA96.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride (CID 71299790) is 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride is CCn1c(N)c(N)c(=O)n(CC)c1=O.Cl.
What is the InChIKey of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is UQWLJOFXKBZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.ClH/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H.
What are the key properties of 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride?
5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 234.69 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 71299790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).