2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride

C6H11Cl2N3O — CID 137098529

IUPAC2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3O.2ClH/c1-4-2-6(10)9-5(3-7)8-4;;/h2H,3,7H2,1H3,(H,8,9,10);2*1H
InChIKeyXXPOYZKOKVLJAV-UHFFFAOYSA-N
MW212.08 g/mol
LogP0.38
Rot. Bonds1

About 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride

2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137098529) has the molecular formula C6H11Cl2N3O and a molecular weight of 212.08 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137098529
Molecular FormulaC6H11Cl2N3O
Molecular Weight212.08 g/mol
Exact Mass211.03
IUPAC Name2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCc1cc(=O)[nH]c(CN)n1.Cl.Cl
InChIInChI=1S/C6H9N3O.2ClH/c1-4-2-6(10)9-5(3-7)8-4;;/h2H,3,7H2,1H3,(H,8,9,10);2*1H
InChIKeyXXPOYZKOKVLJAV-UHFFFAOYSA-N
XLogP0.38
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride (CID 137098529) is 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride is Cc1cc(=O)[nH]c(CN)n1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is XXPOYZKOKVLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.2ClH/c1-4-2-6(10)9-5(3-7)8-4;;/h2H,3,7H2,1H3,(H,8,9,10);2*1H.
What are the key properties of 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride?
2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 212.08 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137098529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).