2-(2-tert-butylpyrazol-3-yl)pyrimidine

C11H14N4 — CID 56956113

IUPAC2-(2-tert-butylpyrazol-3-yl)pyrimidine
SMILESCC(C)(C)n1nccc1-c1ncccn1
InChIInChI=1S/C11H14N4/c1-11(2,3)15-9(5-8-14-15)10-12-6-4-7-13-10/h4-8H,1-3H3
InChIKeyDNXRMICPOBQBJM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.10
Rot. Bonds1

About 2-(2-tert-butylpyrazol-3-yl)pyrimidine

2-(2-tert-butylpyrazol-3-yl)pyrimidine (PubChem CID 56956113) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-tert-butylpyrazol-3-yl)pyrimidine
PubChem CID56956113
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-(2-tert-butylpyrazol-3-yl)pyrimidine
SMILESCC(C)(C)n1nccc1-c1ncccn1
InChIInChI=1S/C11H14N4/c1-11(2,3)15-9(5-8-14-15)10-12-6-4-7-13-10/h4-8H,1-3H3
InChIKeyDNXRMICPOBQBJM-UHFFFAOYSA-N
XLogP2.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazol-3-yl)pyrimidine?
The IUPAC name of 2-(2-tert-butylpyrazol-3-yl)pyrimidine (CID 56956113) is 2-(2-tert-butylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 2-(2-tert-butylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 2-(2-tert-butylpyrazol-3-yl)pyrimidine is CC(C)(C)n1nccc1-c1ncccn1.
What is the InChIKey of 2-(2-tert-butylpyrazol-3-yl)pyrimidine?
The InChIKey is DNXRMICPOBQBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)15-9(5-8-14-15)10-12-6-4-7-13-10/h4-8H,1-3H3.
What are the key properties of 2-(2-tert-butylpyrazol-3-yl)pyrimidine?
2-(2-tert-butylpyrazol-3-yl)pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 56956113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).