2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine

C12H14N4 — CID 70954082

IUPAC2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine
SMILESCC(c1cnccn1)C(C)c1ncccn1
InChIInChI=1S/C12H14N4/c1-9(11-8-13-6-7-14-11)10(2)12-15-4-3-5-16-12/h3-10H,1-2H3
InChIKeyGOJSTRDPGHMPDR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds3

About 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine

2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine (PubChem CID 70954082) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine
PubChem CID70954082
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine
SMILESCC(c1cnccn1)C(C)c1ncccn1
InChIInChI=1S/C12H14N4/c1-9(11-8-13-6-7-14-11)10(2)12-15-4-3-5-16-12/h3-10H,1-2H3
InChIKeyGOJSTRDPGHMPDR-UHFFFAOYSA-N
XLogP2.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine 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-(3-pyrazin-2-ylbutan-2-yl)pyrimidine?
The IUPAC name of 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine (CID 70954082) is 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine.
What is the SMILES notation for 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine?
The canonical SMILES for 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine is CC(c1cnccn1)C(C)c1ncccn1.
What is the InChIKey of 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine?
The InChIKey is GOJSTRDPGHMPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9(11-8-13-6-7-14-11)10(2)12-15-4-3-5-16-12/h3-10H,1-2H3.
What are the key properties of 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine?
2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazin-2-ylbutan-2-yl)pyrimidine is sourced from PubChem (CID 70954082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).