5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride

C5H8ClN3O2 — CID 13445891

IUPAC5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(O)c(N)c(=O)[nH]1.Cl
InChIInChI=1S/C5H7N3O2.ClH/c1-2-7-4(9)3(6)5(10)8-2;/h6H2,1H3,(H2,7,8,9,10);1H
InChIKeyYCVGBWSNVXZTFM-UHFFFAOYSA-N
MW177.59 g/mol
LogP-0.21
Rot. Bonds

About 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride

5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride (PubChem CID 13445891) has the molecular formula C5H8ClN3O2 and a molecular weight of 177.59 g/mol. Its IUPAC name is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride
PubChem CID13445891
Molecular FormulaC5H8ClN3O2
Molecular Weight177.59 g/mol
Exact Mass177.03
IUPAC Name5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride
SMILESCc1nc(O)c(N)c(=O)[nH]1.Cl
InChIInChI=1S/C5H7N3O2.ClH/c1-2-7-4(9)3(6)5(10)8-2;/h6H2,1H3,(H2,7,8,9,10);1H
InChIKeyYCVGBWSNVXZTFM-UHFFFAOYSA-N
XLogP-0.21
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride (CID 13445891) is 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride is Cc1nc(O)c(N)c(=O)[nH]1.Cl.
What is the InChIKey of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride?
The InChIKey is YCVGBWSNVXZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.ClH/c1-2-7-4(9)3(6)5(10)8-2;/h6H2,1H3,(H2,7,8,9,10);1H.
What are the key properties of 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride?
5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride has a molecular weight of 177.59 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 13445891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).