6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine

C17H25N3O — CID 21002905

IUPAC6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine
SMILESCOc1ccc2ncnc(NC(C)(C)CC(C)(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15-13-9-12(21-6)7-8-14(13)18-11-19-15/h7-9,11H,10H2,1-6H3,(H,18,19,20)
InChIKeyVQEDEHAFRHCDMM-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.27
Rot. Bonds4

About 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine

6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine (PubChem CID 21002905) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine
PubChem CID21002905
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine
SMILESCOc1ccc2ncnc(NC(C)(C)CC(C)(C)C)c2c1
InChIInChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15-13-9-12(21-6)7-8-14(13)18-11-19-15/h7-9,11H,10H2,1-6H3,(H,18,19,20)
InChIKeyVQEDEHAFRHCDMM-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine with MolForge

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Related Compounds

2-[(6-methoxyquinazolin-4-yl)amino]ethanol
CID 21002851
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
6-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 91641684
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine
CID 20545409
6-N-(2-chloroethyl)-4-N-(3-methoxyphenyl)quinazoline-4,6-diamine
CID 166972075
4-amino-2-[(6-methoxyquinazolin-4-yl)amino]-4-oxobutanoic acid
CID 21002885
N-tert-butyl-6-methylquinazolin-4-amine
CID 21002439
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
7-methoxy-N-(3-methylpentan-3-yl)isoquinolin-1-amine
CID 106329434
N-(2-methoxyethyl)-6-(3-methoxyphenyl)quinazolin-4-amine
CID 3232599

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine (CID 21002905) is 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine is COc1ccc2ncnc(NC(C)(C)CC(C)(C)C)c2c1.
What is the InChIKey of 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine?
The InChIKey is VQEDEHAFRHCDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2,3)10-17(4,5)20-15-13-9-12(21-6)7-8-14(13)18-11-19-15/h7-9,11H,10H2,1-6H3,(H,18,19,20).
What are the key properties of 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine?
6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 21002905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).