2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one

C7H7N5O — CID 136776207

IUPAC2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(-n2ccnc2)cc(=O)[nH]1
InChIInChI=1S/C7H7N5O/c8-7-10-5(3-6(13)11-7)12-2-1-9-4-12/h1-4H,(H3,8,10,11,13)
InChIKeyWRJXXWWFIBMXJK-UHFFFAOYSA-N
MW177.17 g/mol
LogP-0.46
Rot. Bonds1

About 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one

2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one (PubChem CID 136776207) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one
PubChem CID136776207
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one
SMILESNc1nc(-n2ccnc2)cc(=O)[nH]1
InChIInChI=1S/C7H7N5O/c8-7-10-5(3-6(13)11-7)12-2-1-9-4-12/h1-4H,(H3,8,10,11,13)
InChIKeyWRJXXWWFIBMXJK-UHFFFAOYSA-N
XLogP-0.46
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-2-methylpyrimidin-4-amine
CID 80854231
4-hydrazinyl-6-imidazol-1-ylpyrimidin-2-amine
CID 80900802
2-amino-4-(4-aminopiperidin-1-yl)-1H-pyrimidin-6-one
CID 135933881
2-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136776183
4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
CID 133407803
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
6-imidazol-1-yl-3-nitropyridin-2-amine
CID 10512423
3-ethyl-5-imidazol-1-yl-2-nitroaniline
CID 10466471
(6-imidazol-1-yl-2-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80899902
4-amino-2-(2-imidazol-1-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135967603
6-imidazol-1-yl-2-N-methylpyridine-2,3-diamine
CID 166108927
4-chloro-6-imidazol-1-yl-2-propylpyrimidine
CID 80945862

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one (CID 136776207) is 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one is Nc1nc(-n2ccnc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one?
The InChIKey is WRJXXWWFIBMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c8-7-10-5(3-6(13)11-7)12-2-1-9-4-12/h1-4H,(H3,8,10,11,13).
What are the key properties of 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one?
2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one has a molecular weight of 177.17 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-imidazol-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136776207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).