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

C9H15Cl2N3O — CID 137183162

IUPAC4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1cc(=O)[nH]c(C2CCC2)n1
InChIInChI=1S/C9H13N3O.2ClH/c10-5-7-4-8(13)12-9(11-7)6-2-1-3-6;;/h4,6H,1-3,5,10H2,(H,11,12,13);2*1H
InChIKeyOOXODUOBZYQEKY-UHFFFAOYSA-N
MW252.14 g/mol
LogP1.34
Rot. Bonds2

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

4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137183162) has the molecular formula C9H15Cl2N3O and a molecular weight of 252.14 g/mol. Its IUPAC name is 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137183162
Molecular FormulaC9H15Cl2N3O
Molecular Weight252.14 g/mol
Exact Mass251.06
IUPAC Name4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCc1cc(=O)[nH]c(C2CCC2)n1
InChIInChI=1S/C9H13N3O.2ClH/c10-5-7-4-8(13)12-9(11-7)6-2-1-3-6;;/h4,6H,1-3,5,10H2,(H,11,12,13);2*1H
InChIKeyOOXODUOBZYQEKY-UHFFFAOYSA-N
XLogP1.34
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride (CID 137183162) is 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.NCc1cc(=O)[nH]c(C2CCC2)n1.
What is the InChIKey of 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is OOXODUOBZYQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2ClH/c10-5-7-4-8(13)12-9(11-7)6-2-1-3-6;;/h4,6H,1-3,5,10H2,(H,11,12,13);2*1H.
What are the key properties of 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride?
4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 252.14 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-cyclobutyl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137183162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).