5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride

C6H10ClN3O2 — CID 138585470

IUPAC5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride
SMILESCl.Nc1cncn(CCO)c1=O
InChIInChI=1S/C6H9N3O2.ClH/c7-5-3-8-4-9(1-2-10)6(5)11;/h3-4,10H,1-2,7H2;1H
InChIKeyZLILRCPEBSBPGA-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.76
Rot. Bonds2

About 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride

5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride (PubChem CID 138585470) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride
PubChem CID138585470
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride
SMILESCl.Nc1cncn(CCO)c1=O
InChIInChI=1S/C6H9N3O2.ClH/c7-5-3-8-4-9(1-2-10)6(5)11;/h3-4,10H,1-2,7H2;1H
InChIKeyZLILRCPEBSBPGA-UHFFFAOYSA-N
XLogP-0.76
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride?
The IUPAC name of 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride (CID 138585470) is 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride.
What is the SMILES notation for 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride?
The canonical SMILES for 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride is Cl.Nc1cncn(CCO)c1=O.
What is the InChIKey of 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride?
The InChIKey is ZLILRCPEBSBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-5-3-8-4-9(1-2-10)6(5)11;/h3-4,10H,1-2,7H2;1H.
What are the key properties of 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride?
5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxyethyl)pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 138585470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).