4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one

C9H11N5O — CID 135515373

IUPAC4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(N)cc(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)14(13-5)9-11-7(10)4-8(15)12-9/h3-4H,1-2H3,(H3,10,11,12,15)
InChIKeyZMCLYKPVKXRIIC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.15
Rot. Bonds1

About 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one

4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 135515373) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one
PubChem CID135515373
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(N)cc(=O)[nH]2)n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)14(13-5)9-11-7(10)4-8(15)12-9/h3-4H,1-2H3,(H3,10,11,12,15)
InChIKeyZMCLYKPVKXRIIC-UHFFFAOYSA-N
XLogP0.15
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one (CID 135515373) is 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one is Cc1cc(C)n(-c2nc(N)cc(=O)[nH]2)n1.
What is the InChIKey of 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZMCLYKPVKXRIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-3-6(2)14(13-5)9-11-7(10)4-8(15)12-9/h3-4H,1-2H3,(H3,10,11,12,15).
What are the key properties of 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one?
4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 205.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135515373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).