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

C6H11ClN4O3 — CID 14198224

IUPAC5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.Nc1c(NCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3.ClH/c7-3-4(8-1-2-11)9-6(13)10-5(3)12;/h11H,1-2,7H2,(H3,8,9,10,12,13);1H
InChIKeyKTRYODAMXAKPHA-UHFFFAOYSA-N
MW222.63 g/mol
LogP-1.53
Rot. Bonds3

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

5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 14198224) has the molecular formula C6H11ClN4O3 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID14198224
Molecular FormulaC6H11ClN4O3
Molecular Weight222.63 g/mol
Exact Mass222.05
IUPAC Name5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.Nc1c(NCCO)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O3.ClH/c7-3-4(8-1-2-11)9-6(13)10-5(3)12;/h11H,1-2,7H2,(H3,8,9,10,12,13);1H
InChIKeyKTRYODAMXAKPHA-UHFFFAOYSA-N
XLogP-1.53
TPSA124.00 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride (CID 14198224) is 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride is Cl.Nc1c(NCCO)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is KTRYODAMXAKPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3.ClH/c7-3-4(8-1-2-11)9-6(13)10-5(3)12;/h11H,1-2,7H2,(H3,8,9,10,12,13);1H.
What are the key properties of 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride?
5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 222.63 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-hydroxyethylamino)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 14198224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).