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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).