2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C12H17N5O — CID 135876306

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2N)n1
InChIInChI=1S/C12H17N5O/c1-7-5-10(18)15-11(14-7)17-9(13)6-8(16-17)12(2,3)4/h5-6H,13H2,1-4H3,(H,14,15,18)
InChIKeyITIBRFCQENNQPR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds1

About 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135876306) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135876306
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2N)n1
InChIInChI=1S/C12H17N5O/c1-7-5-10(18)15-11(14-7)17-9(13)6-8(16-17)12(2,3)4/h5-6H,13H2,1-4H3,(H,14,15,18)
InChIKeyITIBRFCQENNQPR-UHFFFAOYSA-N
XLogP1.14
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 135876306) is 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C(C)(C)C)cc2N)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is ITIBRFCQENNQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7-5-10(18)15-11(14-7)17-9(13)6-8(16-17)12(2,3)4/h5-6H,13H2,1-4H3,(H,14,15,18).
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 247.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).