2-tert-butyl-5-propan-2-ylquinazoline

C15H20N2 — CID 166928250

IUPAC2-tert-butyl-5-propan-2-ylquinazoline
SMILESCC(C)c1cccc2nc(C(C)(C)C)ncc12
InChIInChI=1S/C15H20N2/c1-10(2)11-7-6-8-13-12(11)9-16-14(17-13)15(3,4)5/h6-10H,1-5H3
InChIKeyBWGZAIWJLVNHOV-UHFFFAOYSA-N
MW228.34 g/mol
LogP4.05
Rot. Bonds1

About 2-tert-butyl-5-propan-2-ylquinazoline

2-tert-butyl-5-propan-2-ylquinazoline (PubChem CID 166928250) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-tert-butyl-5-propan-2-ylquinazoline.

Molecular Properties

Compound Name2-tert-butyl-5-propan-2-ylquinazoline
PubChem CID166928250
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name2-tert-butyl-5-propan-2-ylquinazoline
SMILESCC(C)c1cccc2nc(C(C)(C)C)ncc12
InChIInChI=1S/C15H20N2/c1-10(2)11-7-6-8-13-12(11)9-16-14(17-13)15(3,4)5/h6-10H,1-5H3
InChIKeyBWGZAIWJLVNHOV-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-propan-2-yl-3-(trifluoromethyl)isoquinoline
CID 176986033
CID 158967293
CID 158967293
5-propan-2-ylquinoline-2-carboxylic acid
CID 166734564
1-(5-propan-2-ylquinolin-2-yl)ethenol
CID 158242850
1-tert-butyl-2-methoxy-3-propan-2-ylbenzene
CID 58817173
3-[(2S)-butan-2-yl]-5-propan-2-ylquinoline
CID 71189070
5-propan-2-yl-1H-quinazolin-2-one
CID 170419248
5-tert-butyl-14-(2,6-dimethylphenyl)-4,6,14,17-tetrazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 170672545
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
3-tert-butyl-5-propan-2-yl-1,2,4-triazine
CID 170117285
4,8-di(propan-2-yl)isoquinoline
CID 59590591
2-tert-butyl-6-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine
CID 58100280

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-propan-2-ylquinazoline?
The IUPAC name of 2-tert-butyl-5-propan-2-ylquinazoline (CID 166928250) is 2-tert-butyl-5-propan-2-ylquinazoline.
What is the SMILES notation for 2-tert-butyl-5-propan-2-ylquinazoline?
The canonical SMILES for 2-tert-butyl-5-propan-2-ylquinazoline is CC(C)c1cccc2nc(C(C)(C)C)ncc12.
What is the InChIKey of 2-tert-butyl-5-propan-2-ylquinazoline?
The InChIKey is BWGZAIWJLVNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)11-7-6-8-13-12(11)9-16-14(17-13)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 2-tert-butyl-5-propan-2-ylquinazoline?
2-tert-butyl-5-propan-2-ylquinazoline has a molecular weight of 228.34 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-propan-2-ylquinazoline is sourced from PubChem (CID 166928250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).