4-butyl-4-methyl-1H-pyrimidine

C9H16N2 — CID 90806003

IUPAC4-butyl-4-methyl-1H-pyrimidine
SMILESCCCCC1(C)C=CNC=N1
InChIInChI=1S/C9H16N2/c1-3-4-5-9(2)6-7-10-8-11-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyFDTZYNCHSCMLJL-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds3

About 4-butyl-4-methyl-1H-pyrimidine

4-butyl-4-methyl-1H-pyrimidine (PubChem CID 90806003) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-butyl-4-methyl-1H-pyrimidine.

Molecular Properties

Compound Name4-butyl-4-methyl-1H-pyrimidine
PubChem CID90806003
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-butyl-4-methyl-1H-pyrimidine
SMILESCCCCC1(C)C=CNC=N1
InChIInChI=1S/C9H16N2/c1-3-4-5-9(2)6-7-10-8-11-9/h6-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyFDTZYNCHSCMLJL-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-3-methylpyrazole
CID 173034628
1-butyl-1,3,3-trimethylcyclobutane
CID 91249753
1-butyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497636
3,3-dibutylpyrazole
CID 154963182
6-butyl-1-methyl-2,3,7-triazabicyclo[4.1.1]octa-2,4-diene
CID 134550897
3-butyl-3-methylazetidine;ethane
CID 145389820
2,2,6,6-tetrabutylpiperidine
CID 22415175
1-methyl-1-pentylcyclopropane
CID 524644
1,4-dibutylcyclohexane-1,4-diamine
CID 139996761
3,3-dibutylcyclohexene
CID 174543750
3-butyl-3-methyloxirane-2-carbonitrile
CID 130786664
(1R)-1-butyl-1,2,2-trimethylcyclohexane
CID 160652291

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-methyl-1H-pyrimidine?
The IUPAC name of 4-butyl-4-methyl-1H-pyrimidine (CID 90806003) is 4-butyl-4-methyl-1H-pyrimidine.
What is the SMILES notation for 4-butyl-4-methyl-1H-pyrimidine?
The canonical SMILES for 4-butyl-4-methyl-1H-pyrimidine is CCCCC1(C)C=CNC=N1.
What is the InChIKey of 4-butyl-4-methyl-1H-pyrimidine?
The InChIKey is FDTZYNCHSCMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-5-9(2)6-7-10-8-11-9/h6-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-butyl-4-methyl-1H-pyrimidine?
4-butyl-4-methyl-1H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-methyl-1H-pyrimidine is sourced from PubChem (CID 90806003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).