3-tert-butyl-2,6-dimethyl-4H-pyrimidine

C10H18N2 — CID 67682841

IUPAC3-tert-butyl-2,6-dimethyl-4H-pyrimidine
SMILESCC1=CCN(C(C)(C)C)C(C)=N1
InChIInChI=1S/C10H18N2/c1-8-6-7-12(9(2)11-8)10(3,4)5/h6H,7H2,1-5H3
InChIKeyTXQKSANPXUGRAW-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds

About 3-tert-butyl-2,6-dimethyl-4H-pyrimidine

3-tert-butyl-2,6-dimethyl-4H-pyrimidine (PubChem CID 67682841) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-tert-butyl-2,6-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name3-tert-butyl-2,6-dimethyl-4H-pyrimidine
PubChem CID67682841
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-tert-butyl-2,6-dimethyl-4H-pyrimidine
SMILESCC1=CCN(C(C)(C)C)C(C)=N1
InChIInChI=1S/C10H18N2/c1-8-6-7-12(9(2)11-8)10(3,4)5/h6H,7H2,1-5H3
InChIKeyTXQKSANPXUGRAW-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The IUPAC name of 3-tert-butyl-2,6-dimethyl-4H-pyrimidine (CID 67682841) is 3-tert-butyl-2,6-dimethyl-4H-pyrimidine.
What is the SMILES notation for 3-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The canonical SMILES for 3-tert-butyl-2,6-dimethyl-4H-pyrimidine is CC1=CCN(C(C)(C)C)C(C)=N1.
What is the InChIKey of 3-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The InChIKey is TXQKSANPXUGRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-6-7-12(9(2)11-8)10(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 3-tert-butyl-2,6-dimethyl-4H-pyrimidine?
3-tert-butyl-2,6-dimethyl-4H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,6-dimethyl-4H-pyrimidine is sourced from PubChem (CID 67682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).