2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride

C5H9Cl2N3O — CID 122360074

IUPAC2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O.2ClH/c6-3-4-7-2-1-5(9)8-4;;/h1-2H,3,6H2,(H,7,8,9);2*1H
InChIKeyDFORKZHGKMFLRX-UHFFFAOYSA-N
MW198.05 g/mol
LogP0.07
Rot. Bonds1

About 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride

2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 122360074) has the molecular formula C5H9Cl2N3O and a molecular weight of 198.05 g/mol. Its IUPAC name is 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride
PubChem CID122360074
Molecular FormulaC5H9Cl2N3O
Molecular Weight198.05 g/mol
Exact Mass197.01
IUPAC Name2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1nccc(=O)[nH]1
InChIInChI=1S/C5H7N3O.2ClH/c6-3-4-7-2-1-5(9)8-4;;/h1-2H,3,6H2,(H,7,8,9);2*1H
InChIKeyDFORKZHGKMFLRX-UHFFFAOYSA-N
XLogP0.07
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride (CID 122360074) is 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.NCc1nccc(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is DFORKZHGKMFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.2ClH/c6-3-4-7-2-1-5(9)8-4;;/h1-2H,3,6H2,(H,7,8,9);2*1H.
What are the key properties of 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride?
2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 198.05 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 122360074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).