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

C6H10ClN3O2 — CID 119106466

IUPAC5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(CN)c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2.ClH/c1-9-3-4(2-7)5(10)8-6(9)11;/h3H,2,7H2,1H3,(H,8,10,11);1H
InChIKeyVMHVOASAOXEWTG-UHFFFAOYSA-N
MW191.62 g/mol
LogP-1.05
Rot. Bonds1

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

5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119106466) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID119106466
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride
SMILESCl.Cn1cc(CN)c(=O)[nH]c1=O
InChIInChI=1S/C6H9N3O2.ClH/c1-9-3-4(2-7)5(10)8-6(9)11;/h3H,2,7H2,1H3,(H,8,10,11);1H
InChIKeyVMHVOASAOXEWTG-UHFFFAOYSA-N
XLogP-1.05
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride (CID 119106466) is 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride is Cl.Cn1cc(CN)c(=O)[nH]c1=O.
What is the InChIKey of 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is VMHVOASAOXEWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-9-3-4(2-7)5(10)8-6(9)11;/h3H,2,7H2,1H3,(H,8,10,11);1H.
What are the key properties of 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride?
5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119106466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).