4-methyl-4-(3-methylbutyl)-1H-pyrimidine

C10H18N2 — CID 91605127

IUPAC4-methyl-4-(3-methylbutyl)-1H-pyrimidine
SMILESCC(C)CCC1(C)C=CNC=N1
InChIInChI=1S/C10H18N2/c1-9(2)4-5-10(3)6-7-11-8-12-10/h6-9H,4-5H2,1-3H3,(H,11,12)
InChIKeyXBTXNSGJGSHVAH-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.33
Rot. Bonds3

About 4-methyl-4-(3-methylbutyl)-1H-pyrimidine

4-methyl-4-(3-methylbutyl)-1H-pyrimidine (PubChem CID 91605127) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutyl)-1H-pyrimidine.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutyl)-1H-pyrimidine
PubChem CID91605127
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-methyl-4-(3-methylbutyl)-1H-pyrimidine
SMILESCC(C)CCC1(C)C=CNC=N1
InChIInChI=1S/C10H18N2/c1-9(2)4-5-10(3)6-7-11-8-12-10/h6-9H,4-5H2,1-3H3,(H,11,12)
InChIKeyXBTXNSGJGSHVAH-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-Butyl-1,4-dimethylpyrimidine
CID 90735607
4-butyl-4-methyl-1H-pyrimidine
CID 90806003
4-(2-Methylpentan-2-yl)-1,4-dihydropyrimidine
CID 134478753
4-methyl-4,5-di(propan-2-yl)-1H-pyrimidine
CID 137444781
4-(3-Methylhexan-3-yl)-1,4-dihydropyrimidine
CID 137444785
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 143492573
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-methyl-4-(2-methylbutan-2-yl)-1H-pyrimidine
CID 145018131
4-pentan-2-yl-1H-pyrimidine-2,4-diamine
CID 152683649
4-(3,3-dimethylbutyl)-1H-pyrimidine-2,4-diamine
CID 152770299
4-(3-methylbutyl)-1H-pyrimidine-4,5-diamine
CID 154282190

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbutyl)-1H-pyrimidine?
The IUPAC name of 4-methyl-4-(3-methylbutyl)-1H-pyrimidine (CID 91605127) is 4-methyl-4-(3-methylbutyl)-1H-pyrimidine.
What is the SMILES notation for 4-methyl-4-(3-methylbutyl)-1H-pyrimidine?
The canonical SMILES for 4-methyl-4-(3-methylbutyl)-1H-pyrimidine is CC(C)CCC1(C)C=CNC=N1.
What is the InChIKey of 4-methyl-4-(3-methylbutyl)-1H-pyrimidine?
The InChIKey is XBTXNSGJGSHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)4-5-10(3)6-7-11-8-12-10/h6-9H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 4-methyl-4-(3-methylbutyl)-1H-pyrimidine?
4-methyl-4-(3-methylbutyl)-1H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutyl)-1H-pyrimidine is sourced from PubChem (CID 91605127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).