1H-pyrimidin-6-one;hydrochloride

C4H5ClN2O — CID 18767932

IUPAC1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.ClH/c7-4-1-2-5-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKeyYAYOVHRLVOHYMW-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.19
Rot. Bonds

About 1H-pyrimidin-6-one;hydrochloride

1H-pyrimidin-6-one;hydrochloride (PubChem CID 18767932) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is 1H-pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name1H-pyrimidin-6-one;hydrochloride
PubChem CID18767932
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name1H-pyrimidin-6-one;hydrochloride
SMILESCl.O=c1ccnc[nH]1
InChIInChI=1S/C4H4N2O.ClH/c7-4-1-2-5-3-6-4;/h1-3H,(H,5,6,7);1H
InChIKeyYAYOVHRLVOHYMW-UHFFFAOYSA-N
XLogP0.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-6-one;hydrochloride?
The IUPAC name of 1H-pyrimidin-6-one;hydrochloride (CID 18767932) is 1H-pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 1H-pyrimidin-6-one;hydrochloride?
The canonical SMILES for 1H-pyrimidin-6-one;hydrochloride is Cl.O=c1ccnc[nH]1.
What is the InChIKey of 1H-pyrimidin-6-one;hydrochloride?
The InChIKey is YAYOVHRLVOHYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.ClH/c7-4-1-2-5-3-6-4;/h1-3H,(H,5,6,7);1H.
What are the key properties of 1H-pyrimidin-6-one;hydrochloride?
1H-pyrimidin-6-one;hydrochloride has a molecular weight of 132.55 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 18767932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).