5-acetyl-4-amino-1H-pyrimidin-6-one

C6H7N3O2 — CID 136934804

IUPAC5-acetyl-4-amino-1H-pyrimidin-6-one
SMILESCC(=O)c1c(N)nc[nH]c1=O
InChIInChI=1S/C6H7N3O2/c1-3(10)4-5(7)8-2-9-6(4)11/h2H,1H3,(H3,7,8,9,11)
InChIKeyDNSRHYIDYPDGNW-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.45
Rot. Bonds1

About 5-acetyl-4-amino-1H-pyrimidin-6-one

5-acetyl-4-amino-1H-pyrimidin-6-one (PubChem CID 136934804) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-acetyl-4-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-acetyl-4-amino-1H-pyrimidin-6-one
PubChem CID136934804
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-acetyl-4-amino-1H-pyrimidin-6-one
SMILESCC(=O)c1c(N)nc[nH]c1=O
InChIInChI=1S/C6H7N3O2/c1-3(10)4-5(7)8-2-9-6(4)11/h2H,1H3,(H3,7,8,9,11)
InChIKeyDNSRHYIDYPDGNW-UHFFFAOYSA-N
XLogP-0.45
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-1H-pyrimidin-6-one?
The IUPAC name of 5-acetyl-4-amino-1H-pyrimidin-6-one (CID 136934804) is 5-acetyl-4-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 5-acetyl-4-amino-1H-pyrimidin-6-one?
The canonical SMILES for 5-acetyl-4-amino-1H-pyrimidin-6-one is CC(=O)c1c(N)nc[nH]c1=O.
What is the InChIKey of 5-acetyl-4-amino-1H-pyrimidin-6-one?
The InChIKey is DNSRHYIDYPDGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-3(10)4-5(7)8-2-9-6(4)11/h2H,1H3,(H3,7,8,9,11).
What are the key properties of 5-acetyl-4-amino-1H-pyrimidin-6-one?
5-acetyl-4-amino-1H-pyrimidin-6-one has a molecular weight of 153.14 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 136934804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).