5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine

C16H22N4 — CID 135257444

IUPAC5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
SMILESCC(C)(C)c1cnc(CC(C)(C)c2cnccn2)nc1
InChIInChI=1S/C16H22N4/c1-15(2,3)12-9-19-14(20-10-12)8-16(4,5)13-11-17-6-7-18-13/h6-7,9-11H,8H2,1-5H3
InChIKeyMNFRHWFEIQDFMQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.08
Rot. Bonds3

About 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine

5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine (PubChem CID 135257444) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
PubChem CID135257444
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine
SMILESCC(C)(C)c1cnc(CC(C)(C)c2cnccn2)nc1
InChIInChI=1S/C16H22N4/c1-15(2,3)12-9-19-14(20-10-12)8-16(4,5)13-11-17-6-7-18-13/h6-7,9-11H,8H2,1-5H3
InChIKeyMNFRHWFEIQDFMQ-UHFFFAOYSA-N
XLogP3.08
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine?
The IUPAC name of 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine (CID 135257444) is 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine is CC(C)(C)c1cnc(CC(C)(C)c2cnccn2)nc1.
What is the InChIKey of 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine?
The InChIKey is MNFRHWFEIQDFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-15(2,3)12-9-19-14(20-10-12)8-16(4,5)13-11-17-6-7-18-13/h6-7,9-11H,8H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine?
5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine has a molecular weight of 270.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-methyl-2-pyrazin-2-ylpropyl)pyrimidine is sourced from PubChem (CID 135257444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).