acetamide;5-amino-1H-pyrimidin-6-one

C6H10N4O2 — CID 69460116

IUPACacetamide;5-amino-1H-pyrimidin-6-one
SMILESCC(N)=O.Nc1cnc[nH]c1=O
InChIInChI=1S/C4H5N3O.C2H5NO/c5-3-1-6-2-7-4(3)8;1-2(3)4/h1-2H,5H2,(H,6,7,8);1H3,(H2,3,4)
InChIKeyCTIUIIIAEFJRHQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.16
Rot. Bonds

About acetamide;5-amino-1H-pyrimidin-6-one

acetamide;5-amino-1H-pyrimidin-6-one (PubChem CID 69460116) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is acetamide;5-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Nameacetamide;5-amino-1H-pyrimidin-6-one
PubChem CID69460116
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Nameacetamide;5-amino-1H-pyrimidin-6-one
SMILESCC(N)=O.Nc1cnc[nH]c1=O
InChIInChI=1S/C4H5N3O.C2H5NO/c5-3-1-6-2-7-4(3)8;1-2(3)4/h1-2H,5H2,(H,6,7,8);1H3,(H2,3,4)
InChIKeyCTIUIIIAEFJRHQ-UHFFFAOYSA-N
XLogP-1.16
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetamide;5-amino-1H-pyrimidin-6-one?
The IUPAC name of acetamide;5-amino-1H-pyrimidin-6-one (CID 69460116) is acetamide;5-amino-1H-pyrimidin-6-one.
What is the SMILES notation for acetamide;5-amino-1H-pyrimidin-6-one?
The canonical SMILES for acetamide;5-amino-1H-pyrimidin-6-one is CC(N)=O.Nc1cnc[nH]c1=O.
What is the InChIKey of acetamide;5-amino-1H-pyrimidin-6-one?
The InChIKey is CTIUIIIAEFJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.C2H5NO/c5-3-1-6-2-7-4(3)8;1-2(3)4/h1-2H,5H2,(H,6,7,8);1H3,(H2,3,4).
What are the key properties of acetamide;5-amino-1H-pyrimidin-6-one?
acetamide;5-amino-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;5-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 69460116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).