5-butan-2-yl-8-propan-2-ylquinazoline

C15H20N2 — CID 138572874

IUPAC5-butan-2-yl-8-propan-2-ylquinazoline
SMILESCCC(C)c1ccc(C(C)C)c2ncncc12
InChIInChI=1S/C15H20N2/c1-5-11(4)13-7-6-12(10(2)3)15-14(13)8-16-9-17-15/h6-11H,5H2,1-4H3
InChIKeyLKPVLHYCEOKSLA-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.27
Rot. Bonds3

About 5-butan-2-yl-8-propan-2-ylquinazoline

5-butan-2-yl-8-propan-2-ylquinazoline (PubChem CID 138572874) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-butan-2-yl-8-propan-2-ylquinazoline.

Molecular Properties

Compound Name5-butan-2-yl-8-propan-2-ylquinazoline
PubChem CID138572874
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name5-butan-2-yl-8-propan-2-ylquinazoline
SMILESCCC(C)c1ccc(C(C)C)c2ncncc12
InChIInChI=1S/C15H20N2/c1-5-11(4)13-7-6-12(10(2)3)15-14(13)8-16-9-17-15/h6-11H,5H2,1-4H3
InChIKeyLKPVLHYCEOKSLA-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 126657195
5-butan-2-yl-4-methylpyrimidine
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CID 145188383
5-butan-2-ylpyrimidin-4-amine
CID 176568045
ethane;8-propan-2-ylpyrido[3,2-d]pyrimidine
CID 165135845
4,7-di(butan-2-yl)-1,10-phenanthroline;ruthenium
CID 58161913
N-(5-butan-2-ylpyrimidin-4-yl)methanimine
CID 176663745
3-butan-2-yl-6-propan-2-ylbenzene-1,2-diol
CID 146417092
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 59593072
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
8-butan-2-yl-3-methylquinazolin-4-one
CID 176559787

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-8-propan-2-ylquinazoline?
The IUPAC name of 5-butan-2-yl-8-propan-2-ylquinazoline (CID 138572874) is 5-butan-2-yl-8-propan-2-ylquinazoline.
What is the SMILES notation for 5-butan-2-yl-8-propan-2-ylquinazoline?
The canonical SMILES for 5-butan-2-yl-8-propan-2-ylquinazoline is CCC(C)c1ccc(C(C)C)c2ncncc12.
What is the InChIKey of 5-butan-2-yl-8-propan-2-ylquinazoline?
The InChIKey is LKPVLHYCEOKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-11(4)13-7-6-12(10(2)3)15-14(13)8-16-9-17-15/h6-11H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-8-propan-2-ylquinazoline?
5-butan-2-yl-8-propan-2-ylquinazoline has a molecular weight of 228.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-8-propan-2-ylquinazoline is sourced from PubChem (CID 138572874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).