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

C10H18N2 — CID 67682840

IUPAC1-tert-butyl-2,6-dimethyl-4H-pyrimidine
SMILESCC1=CCN=C(C)N1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8-6-7-11-9(2)12(8)10(3,4)5/h6H,7H2,1-5H3
InChIKeyQWWQGTSKLGWUCP-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds

About 1-tert-butyl-2,6-dimethyl-4H-pyrimidine

1-tert-butyl-2,6-dimethyl-4H-pyrimidine (PubChem CID 67682840) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-tert-butyl-2,6-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-2,6-dimethyl-4H-pyrimidine
PubChem CID67682840
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-tert-butyl-2,6-dimethyl-4H-pyrimidine
SMILESCC1=CCN=C(C)N1C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8-6-7-11-9(2)12(8)10(3,4)5/h6H,7H2,1-5H3
InChIKeyQWWQGTSKLGWUCP-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 1-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The IUPAC name of 1-tert-butyl-2,6-dimethyl-4H-pyrimidine (CID 67682840) is 1-tert-butyl-2,6-dimethyl-4H-pyrimidine.
What is the SMILES notation for 1-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The canonical SMILES for 1-tert-butyl-2,6-dimethyl-4H-pyrimidine is CC1=CCN=C(C)N1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,6-dimethyl-4H-pyrimidine?
The InChIKey is QWWQGTSKLGWUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8-6-7-11-9(2)12(8)10(3,4)5/h6H,7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,6-dimethyl-4H-pyrimidine?
1-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 1-tert-butyl-2,6-dimethyl-4H-pyrimidine is sourced from PubChem (CID 67682840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).