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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Related Compounds

6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 116805921
2-tert-butyl-N,5-dimethyl-6-phenoxypyrimidin-4-amine
CID 80987975
N,5-dimethyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806255
[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 116806807
[2-cyclopropyl-6-(1-ethylpyrazol-4-yl)oxy-5-methylpyrimidin-4-yl]hydrazine
CID 116806787
2-tert-butyl-N,5-dimethyl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977826
6-butan-2-yloxy-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 80988606
2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794488
2-tert-butyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988043
4-(1-ethylpyrazol-4-yl)oxy-5-methyl-N-propylpyrimidin-2-amine
CID 116806089
2-tert-butyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80989428
1-ethyl-4-[(2-methylpropan-2-yl)oxy]pyrazole
CID 117229710

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).