6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride

C6H10ClN3O2 — CID 117273270

IUPAC6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O2.ClH/c7-2-1-4-3-5(10)9-6(11)8-4;/h3H,1-2,7H2,(H2,8,9,10,11);1H
InChIKeyNLCOUOYUZBWQCS-UHFFFAOYSA-N
MW191.62 g/mol
LogP-1.01
Rot. Bonds2

About 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride

6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 117273270) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID117273270
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C6H9N3O2.ClH/c7-2-1-4-3-5(10)9-6(11)8-4;/h3H,1-2,7H2,(H2,8,9,10,11);1H
InChIKeyNLCOUOYUZBWQCS-UHFFFAOYSA-N
XLogP-1.01
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 117273270) is 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride is Cl.NCCc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is NLCOUOYUZBWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-2-1-4-3-5(10)9-6(11)8-4;/h3H,1-2,7H2,(H2,8,9,10,11);1H.
What are the key properties of 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 117273270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).