4-(2-methylbutan-2-yl)pyrimidine

C9H14N2 — CID 118043588

IUPAC4-(2-methylbutan-2-yl)pyrimidine
SMILESCCC(C)(C)c1ccncn1
InChIInChI=1S/C9H14N2/c1-4-9(2,3)8-5-6-10-7-11-8/h5-7H,4H2,1-3H3
InChIKeyYCICRRWMZXBLTA-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.16
Rot. Bonds2

About 4-(2-methylbutan-2-yl)pyrimidine

4-(2-methylbutan-2-yl)pyrimidine (PubChem CID 118043588) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)pyrimidine
PubChem CID118043588
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-(2-methylbutan-2-yl)pyrimidine
SMILESCCC(C)(C)c1ccncn1
InChIInChI=1S/C9H14N2/c1-4-9(2,3)8-5-6-10-7-11-8/h5-7H,4H2,1-3H3
InChIKeyYCICRRWMZXBLTA-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)pyrimidine?
The IUPAC name of 4-(2-methylbutan-2-yl)pyrimidine (CID 118043588) is 4-(2-methylbutan-2-yl)pyrimidine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)pyrimidine?
The canonical SMILES for 4-(2-methylbutan-2-yl)pyrimidine is CCC(C)(C)c1ccncn1.
What is the InChIKey of 4-(2-methylbutan-2-yl)pyrimidine?
The InChIKey is YCICRRWMZXBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9(2,3)8-5-6-10-7-11-8/h5-7H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)pyrimidine?
4-(2-methylbutan-2-yl)pyrimidine has a molecular weight of 150.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)pyrimidine is sourced from PubChem (CID 118043588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).