6-tert-butyl-4-methyl-2-propan-2-ylquinazoline

C16H22N2 — CID 153269042

IUPAC6-tert-butyl-4-methyl-2-propan-2-ylquinazoline
SMILESCc1nc(C(C)C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H22N2/c1-10(2)15-17-11(3)13-9-12(16(4,5)6)7-8-14(13)18-15/h7-10H,1-6H3
InChIKeyWWTJTVNWKVZAME-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.36
Rot. Bonds1

About 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline

6-tert-butyl-4-methyl-2-propan-2-ylquinazoline (PubChem CID 153269042) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-2-propan-2-ylquinazoline
PubChem CID153269042
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name6-tert-butyl-4-methyl-2-propan-2-ylquinazoline
SMILESCc1nc(C(C)C)nc2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H22N2/c1-10(2)15-17-11(3)13-9-12(16(4,5)6)7-8-14(13)18-15/h7-10H,1-6H3
InChIKeyWWTJTVNWKVZAME-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Methyl-2-quinazolinamine
CID 269325
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
N,2-diphenylquinazolin-4-amine
CID 698960
2-Chloroquinazolin-4-amine
CID 252879

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline?
The IUPAC name of 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline (CID 153269042) is 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline.
What is the SMILES notation for 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline?
The canonical SMILES for 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline is Cc1nc(C(C)C)nc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline?
The InChIKey is WWTJTVNWKVZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-10(2)15-17-11(3)13-9-12(16(4,5)6)7-8-14(13)18-15/h7-10H,1-6H3.
What are the key properties of 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline?
6-tert-butyl-4-methyl-2-propan-2-ylquinazoline has a molecular weight of 242.37 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-2-propan-2-ylquinazoline is sourced from PubChem (CID 153269042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).