2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine

C12H17N5O — CID 116794520

IUPAC2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCn1cc(Oc2cc(N)nc(C(C)(C)C)n2)cn1
InChIInChI=1S/C12H17N5O/c1-12(2,3)11-15-9(13)5-10(16-11)18-8-6-14-17(4)7-8/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyHHIHQKXSXOOPQQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.88
Rot. Bonds2

About 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine

2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 116794520) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID116794520
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCn1cc(Oc2cc(N)nc(C(C)(C)C)n2)cn1
InChIInChI=1S/C12H17N5O/c1-12(2,3)11-15-9(13)5-10(16-11)18-8-6-14-17(4)7-8/h5-7H,1-4H3,(H2,13,15,16)
InChIKeyHHIHQKXSXOOPQQ-UHFFFAOYSA-N
XLogP1.88
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine (CID 116794520) is 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine is Cn1cc(Oc2cc(N)nc(C(C)(C)C)n2)cn1.
What is the InChIKey of 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is HHIHQKXSXOOPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-12(2,3)11-15-9(13)5-10(16-11)18-8-6-14-17(4)7-8/h5-7H,1-4H3,(H2,13,15,16).
What are the key properties of 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 116794520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).