3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine

C11H15N5 — CID 43531915

IUPAC3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ncccn2)n1
InChIInChI=1S/C11H15N5/c1-11(2,3)8-7-9(12)16(15-8)10-13-5-4-6-14-10/h4-7H,12H2,1-3H3
InChIKeyMTKDCIMCMVHWMT-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.54
Rot. Bonds1

About 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine

3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine (PubChem CID 43531915) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine
PubChem CID43531915
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine
SMILESCC(C)(C)c1cc(N)n(-c2ncccn2)n1
InChIInChI=1S/C11H15N5/c1-11(2,3)8-7-9(12)16(15-8)10-13-5-4-6-14-10/h4-7H,12H2,1-3H3
InChIKeyMTKDCIMCMVHWMT-UHFFFAOYSA-N
XLogP1.54
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-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 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine (CID 43531915) is 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine is CC(C)(C)c1cc(N)n(-c2ncccn2)n1.
What is the InChIKey of 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine?
The InChIKey is MTKDCIMCMVHWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-11(2,3)8-7-9(12)16(15-8)10-13-5-4-6-14-10/h4-7H,12H2,1-3H3.
What are the key properties of 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine?
3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine has a molecular weight of 217.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-amine is sourced from PubChem (CID 43531915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).