2-amino-1-pyrimidin-2-ylethanone;hydrochloride

C6H8ClN3O — CID 67547518

IUPAC2-amino-1-pyrimidin-2-ylethanone;hydrochloride
SMILESCl.NCC(=O)c1ncccn1
InChIInChI=1S/C6H7N3O.ClH/c7-4-5(10)6-8-2-1-3-9-6;/h1-3H,4,7H2;1H
InChIKeyUYCAHIFBLKLBPK-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.04
Rot. Bonds2

About 2-amino-1-pyrimidin-2-ylethanone;hydrochloride

2-amino-1-pyrimidin-2-ylethanone;hydrochloride (PubChem CID 67547518) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-amino-1-pyrimidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-pyrimidin-2-ylethanone;hydrochloride
PubChem CID67547518
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name2-amino-1-pyrimidin-2-ylethanone;hydrochloride
SMILESCl.NCC(=O)c1ncccn1
InChIInChI=1S/C6H7N3O.ClH/c7-4-5(10)6-8-2-1-3-9-6;/h1-3H,4,7H2;1H
InChIKeyUYCAHIFBLKLBPK-UHFFFAOYSA-N
XLogP0.04
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
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2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
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2-amino-1-thieno[3,2-b]pyridin-3-ylethanone
CID 23198093
2-amino-1-([1,3]oxazolo[5,4-b]pyridin-2-yl)ethanone
CID 96629973
2-amino-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanone
CID 82411246
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-naphthalen-1-yl-3-pyrimidin-2-ylpropane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrimidin-2-ylethanone;hydrochloride?
The IUPAC name of 2-amino-1-pyrimidin-2-ylethanone;hydrochloride (CID 67547518) is 2-amino-1-pyrimidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-pyrimidin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-amino-1-pyrimidin-2-ylethanone;hydrochloride is Cl.NCC(=O)c1ncccn1.
What is the InChIKey of 2-amino-1-pyrimidin-2-ylethanone;hydrochloride?
The InChIKey is UYCAHIFBLKLBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.ClH/c7-4-5(10)6-8-2-1-3-9-6;/h1-3H,4,7H2;1H.
What are the key properties of 2-amino-1-pyrimidin-2-ylethanone;hydrochloride?
2-amino-1-pyrimidin-2-ylethanone;hydrochloride has a molecular weight of 173.60 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrimidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 67547518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).