2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine

C13H19N5O — CID 116794488

IUPAC2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1cnn(C)c1
InChIInChI=1S/C13H19N5O/c1-8-10(14)16-12(13(2,3)4)17-11(8)19-9-6-15-18(5)7-9/h6-7H,1-5H3,(H2,14,16,17)
InChIKeyIYDSXJUDPVBQMG-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.19
Rot. Bonds2

About 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine

2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine (PubChem CID 116794488) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
PubChem CID116794488
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine
SMILESCc1c(N)nc(C(C)(C)C)nc1Oc1cnn(C)c1
InChIInChI=1S/C13H19N5O/c1-8-10(14)16-12(13(2,3)4)17-11(8)19-9-6-15-18(5)7-9/h6-7H,1-5H3,(H2,14,16,17)
InChIKeyIYDSXJUDPVBQMG-UHFFFAOYSA-N
XLogP2.19
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine (CID 116794488) is 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine is Cc1c(N)nc(C(C)(C)C)nc1Oc1cnn(C)c1.
What is the InChIKey of 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
The InChIKey is IYDSXJUDPVBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-10(14)16-12(13(2,3)4)17-11(8)19-9-6-15-18(5)7-9/h6-7H,1-5H3,(H2,14,16,17).
What are the key properties of 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine?
2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-6-(1-methylpyrazol-4-yl)oxypyrimidin-4-amine is sourced from PubChem (CID 116794488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).