5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride

C6H11ClN4O3 — CID 21413757

IUPAC5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCC(O)Nc1[nH]c(=O)[nH]c(=O)c1N.Cl
InChIInChI=1S/C6H10N4O3.ClH/c1-2(11)8-4-3(7)5(12)10-6(13)9-4;/h2,11H,7H2,1H3,(H3,8,9,10,12,13);1H
InChIKeyFQJKGSMYYLMANV-UHFFFAOYSA-N
MW222.63 g/mol
LogP-1.18
Rot. Bonds2

About 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride

5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 21413757) has the molecular formula C6H11ClN4O3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID21413757
Molecular FormulaC6H11ClN4O3
Molecular Weight222.63 g/mol
Exact Mass222.05
IUPAC Name5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCC(O)Nc1[nH]c(=O)[nH]c(=O)c1N.Cl
InChIInChI=1S/C6H10N4O3.ClH/c1-2(11)8-4-3(7)5(12)10-6(13)9-4;/h2,11H,7H2,1H3,(H3,8,9,10,12,13);1H
InChIKeyFQJKGSMYYLMANV-UHFFFAOYSA-N
XLogP-1.18
TPSA124.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride (CID 21413757) is 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride is CC(O)Nc1[nH]c(=O)[nH]c(=O)c1N.Cl.
What is the InChIKey of 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is FQJKGSMYYLMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3.ClH/c1-2(11)8-4-3(7)5(12)10-6(13)9-4;/h2,11H,7H2,1H3,(H3,8,9,10,12,13);1H.
What are the key properties of 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 222.63 g/mol, XLogP of -1.18, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(1-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 21413757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).