2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine

C13H19N5O — CID 81341700

IUPAC2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
SMILESCc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n[nH]1
InChIInChI=1S/C13H19N5O/c1-7-6-9(18-17-7)19-11-8(2)10(14)15-12(16-11)13(3,4)5/h6H,1-5H3,(H,17,18)(H2,14,15,16)
InChIKeyVECINLYVJMTDMF-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.49
Rot. Bonds2

About 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine

2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine (PubChem CID 81341700) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
PubChem CID81341700
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine
SMILESCc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n[nH]1
InChIInChI=1S/C13H19N5O/c1-7-6-9(18-17-7)19-11-8(2)10(14)15-12(16-11)13(3,4)5/h6H,1-5H3,(H,17,18)(H2,14,15,16)
InChIKeyVECINLYVJMTDMF-UHFFFAOYSA-N
XLogP2.49
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromo-2-methylphenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 107287649
2-tert-butyl-5-methyl-6-(3-methylphenoxy)pyrimidin-4-amine
CID 80989349
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)oxy-5-methylpyrimidin-4-amine
CID 81346629
2-tert-butyl-6-(2-fluoro-5-methylphenoxy)-5-methylpyrimidin-4-amine
CID 80991048
6-(2-bromo-4-fluorophenoxy)-2-tert-butyl-5-methylpyrimidin-4-amine
CID 80988471
2-tert-butyl-6-(2,3-dichlorophenoxy)-5-methylpyrimidin-4-amine
CID 80988187
2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116794488
3-(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80989324
4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridin-3-amine
CID 81342118
5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridin-3-amine
CID 81341926
4-chloro-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-propylpyrimidine
CID 81342497
2-tert-butyl-5-methyl-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80989402

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine (CID 81341700) is 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine is Cc1cc(Oc2nc(C(C)(C)C)nc(N)c2C)n[nH]1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine?
The InChIKey is VECINLYVJMTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-7-6-9(18-17-7)19-11-8(2)10(14)15-12(16-11)13(3,4)5/h6H,1-5H3,(H,17,18)(H2,14,15,16).
What are the key properties of 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine?
2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 81341700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).