N-(4-propan-2-yloxybutyl)quinazolin-2-amine

C15H21N3O — CID 106012372

IUPACN-(4-propan-2-yloxybutyl)quinazolin-2-amine
SMILESCC(C)OCCCCNc1ncc2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-12(2)19-10-6-5-9-16-15-17-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOVUSVEURZJBYRL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.25
Rot. Bonds7

About N-(4-propan-2-yloxybutyl)quinazolin-2-amine

N-(4-propan-2-yloxybutyl)quinazolin-2-amine (PubChem CID 106012372) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)quinazolin-2-amine
PubChem CID106012372
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(4-propan-2-yloxybutyl)quinazolin-2-amine
SMILESCC(C)OCCCCNc1ncc2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-12(2)19-10-6-5-9-16-15-17-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyOVUSVEURZJBYRL-UHFFFAOYSA-N
XLogP3.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)quinazolin-2-amine
CID 114789297
5-iodo-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 104844363
N',N'-di(propan-2-yl)-N-quinazolin-2-ylethane-1,2-diamine
CID 114788824
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
N'-(2-methoxyethyl)-N'-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789069
4-methyl-2-(4-propan-2-yloxybutylamino)pyrimidine-5-carboxylic acid
CID 106003890
N-(2-phenylpropyl)quinazolin-2-amine
CID 114789270
N-(2,3-dimethoxypropyl)quinazolin-2-amine
CID 114100734
N-(2-chloro-3-methoxypropyl)quinazolin-2-amine
CID 114789830
N-[(4-propan-2-ylphenyl)methyl]quinazolin-2-amine
CID 114789025
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)quinazolin-2-amine?
The IUPAC name of N-(4-propan-2-yloxybutyl)quinazolin-2-amine (CID 106012372) is N-(4-propan-2-yloxybutyl)quinazolin-2-amine.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)quinazolin-2-amine?
The canonical SMILES for N-(4-propan-2-yloxybutyl)quinazolin-2-amine is CC(C)OCCCCNc1ncc2ccccc2n1.
What is the InChIKey of N-(4-propan-2-yloxybutyl)quinazolin-2-amine?
The InChIKey is OVUSVEURZJBYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)19-10-6-5-9-16-15-17-11-13-7-3-4-8-14(13)18-15/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4-propan-2-yloxybutyl)quinazolin-2-amine?
N-(4-propan-2-yloxybutyl)quinazolin-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)quinazolin-2-amine is sourced from PubChem (CID 106012372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).