2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine

C15H23N5O — CID 116806064

IUPAC2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine
SMILESCCn1cc(Oc2nc(C(C)(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C15H23N5O/c1-7-20-9-11(8-17-20)21-13-10(2)12(16-6)18-14(19-13)15(3,4)5/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyPJONWBSFXCUHCV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds4

About 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine (PubChem CID 116806064) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine
PubChem CID116806064
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine
SMILESCCn1cc(Oc2nc(C(C)(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C15H23N5O/c1-7-20-9-11(8-17-20)21-13-10(2)12(16-6)18-14(19-13)15(3,4)5/h8-9H,7H2,1-6H3,(H,16,18,19)
InChIKeyPJONWBSFXCUHCV-UHFFFAOYSA-N
XLogP3.13
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
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-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine (CID 116806064) is 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine is CCn1cc(Oc2nc(C(C)(C)C)nc(NC)c2C)cn1.
What is the InChIKey of 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine?
The InChIKey is PJONWBSFXCUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-7-20-9-11(8-17-20)21-13-10(2)12(16-6)18-14(19-13)15(3,4)5/h8-9H,7H2,1-6H3,(H,16,18,19).
What are the key properties of 2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 3.13, 4 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-ethylpyrazol-4-yl)oxy-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116806064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).