N-pyrimidin-4-ylacetamide;hydrochloride

C6H8ClN3O — CID 126797028

IUPACN-pyrimidin-4-ylacetamide;hydrochloride
SMILESCC(=O)Nc1ccncn1.Cl
InChIInChI=1S/C6H7N3O.ClH/c1-5(10)9-6-2-3-7-4-8-6;/h2-4H,1H3,(H,7,8,9,10);1H
InChIKeySRQZVGYKXXJVSW-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.86
Rot. Bonds1

About N-pyrimidin-4-ylacetamide;hydrochloride

N-pyrimidin-4-ylacetamide;hydrochloride (PubChem CID 126797028) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is N-pyrimidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-pyrimidin-4-ylacetamide;hydrochloride
PubChem CID126797028
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC NameN-pyrimidin-4-ylacetamide;hydrochloride
SMILESCC(=O)Nc1ccncn1.Cl
InChIInChI=1S/C6H7N3O.ClH/c1-5(10)9-6-2-3-7-4-8-6;/h2-4H,1H3,(H,7,8,9,10);1H
InChIKeySRQZVGYKXXJVSW-UHFFFAOYSA-N
XLogP0.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-pyrimidin-4-ylbutanamide
CID 130272746
2-amino-2-methyl-N-pyrimidin-4-ylpropanamide
CID 83617917
2-methyl-2-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618049
N-[4-(pyrimidin-4-ylsulfamoyl)phenyl]acetamide
CID 121014999
2-methyl-3-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618247
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
N-methylpyrimidin-4-amine;propanedioic acid
CID 70381240
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-(5-pyridin-4-yl-2-pyridinyl)acetamide
CID 102057434
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827

Frequently Asked Questions

What is the IUPAC name of N-pyrimidin-4-ylacetamide;hydrochloride?
The IUPAC name of N-pyrimidin-4-ylacetamide;hydrochloride (CID 126797028) is N-pyrimidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-pyrimidin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-pyrimidin-4-ylacetamide;hydrochloride is CC(=O)Nc1ccncn1.Cl.
What is the InChIKey of N-pyrimidin-4-ylacetamide;hydrochloride?
The InChIKey is SRQZVGYKXXJVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.ClH/c1-5(10)9-6-2-3-7-4-8-6;/h2-4H,1H3,(H,7,8,9,10);1H.
What are the key properties of N-pyrimidin-4-ylacetamide;hydrochloride?
N-pyrimidin-4-ylacetamide;hydrochloride has a molecular weight of 173.60 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 126797028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).