5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride

C5H8ClN3O — CID 137193186

IUPAC5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc[nH]c(=O)c1N.Cl
InChIInChI=1S/C5H7N3O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,6H2,1H3,(H,7,8,9);1H
InChIKeyPMLCBHRSCOUMQX-UHFFFAOYSA-N
MW161.59 g/mol
LogP0.08
Rot. Bonds

About 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride

5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 137193186) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID137193186
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc[nH]c(=O)c1N.Cl
InChIInChI=1S/C5H7N3O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,6H2,1H3,(H,7,8,9);1H
InChIKeyPMLCBHRSCOUMQX-UHFFFAOYSA-N
XLogP0.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride (CID 137193186) is 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc[nH]c(=O)c1N.Cl.
What is the InChIKey of 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is PMLCBHRSCOUMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c1-3-4(6)5(9)8-2-7-3;/h2H,6H2,1H3,(H,7,8,9);1H.
What are the key properties of 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 137193186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).