5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile

C9H8N6O — CID 135422474

IUPAC5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(=O)[nH]c(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C9H8N6O/c1-5-2-7(16)14-9(13-5)15-8(11)6(3-10)4-12-15/h2,4H,11H2,1H3,(H,13,14,16)
InChIKeyMZVUEGXODZWHEF-UHFFFAOYSA-N
MW216.20 g/mol
LogP-0.28
Rot. Bonds1

About 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile

5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile (PubChem CID 135422474) has the molecular formula C9H8N6O and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile
PubChem CID135422474
Molecular FormulaC9H8N6O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile
SMILESCc1cc(=O)[nH]c(-n2ncc(C#N)c2N)n1
InChIInChI=1S/C9H8N6O/c1-5-2-7(16)14-9(13-5)15-8(11)6(3-10)4-12-15/h2,4H,11H2,1H3,(H,13,14,16)
InChIKeyMZVUEGXODZWHEF-UHFFFAOYSA-N
XLogP-0.28
TPSA113.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile (CID 135422474) is 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile is Cc1cc(=O)[nH]c(-n2ncc(C#N)c2N)n1.
What is the InChIKey of 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile?
The InChIKey is MZVUEGXODZWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O/c1-5-2-7(16)14-9(13-5)15-8(11)6(3-10)4-12-15/h2,4H,11H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile has a molecular weight of 216.20 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 135422474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).