4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine

C10H18N2 — CID 145018131

IUPAC4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine
SMILESCCC(C)(C)C1(C)C=CNC=N1
InChIInChI=1S/C10H18N2/c1-5-9(2,3)10(4)6-7-11-8-12-10/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyJTVDEJAUXVSAFD-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.33
Rot. Bonds2

About 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine

4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine (PubChem CID 145018131) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine.

Molecular Properties

Compound Name4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine
PubChem CID145018131
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine
SMILESCCC(C)(C)C1(C)C=CNC=N1
InChIInChI=1S/C10H18N2/c1-5-9(2,3)10(4)6-7-11-8-12-10/h6-8H,5H2,1-4H3,(H,11,12)
InChIKeyJTVDEJAUXVSAFD-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine?
The IUPAC name of 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine (CID 145018131) is 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine.
What is the SMILES notation for 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine?
The canonical SMILES for 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine is CCC(C)(C)C1(C)C=CNC=N1.
What is the InChIKey of 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine?
The InChIKey is JTVDEJAUXVSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(2,3)10(4)6-7-11-8-12-10/h6-8H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine?
4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine is sourced from PubChem (CID 145018131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).