5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride

C5H8ClN3O2 — CID 54595486

IUPAC5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2.ClH/c6-1-3-2-7-5(10)8-4(3)9;/h2H,1,6H2,(H2,7,8,9,10);1H
InChIKeyAXUBMXRUYDFZGQ-UHFFFAOYSA-N
MW177.59 g/mol
LogP-1.06
Rot. Bonds1

About 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride

5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 54595486) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID54595486
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCl.NCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H7N3O2.ClH/c6-1-3-2-7-5(10)8-4(3)9;/h2H,1,6H2,(H2,7,8,9,10);1H
InChIKeyAXUBMXRUYDFZGQ-UHFFFAOYSA-N
XLogP-1.06
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride (CID 54595486) is 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride is Cl.NCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is AXUBMXRUYDFZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c6-1-3-2-7-5(10)8-4(3)9;/h2H,1,6H2,(H2,7,8,9,10);1H.
What are the key properties of 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride?
5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of -1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 54595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).