N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine

C15H21N3O2 — CID 115943140

IUPACN-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
SMILESCNc1nc(OCCOC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-10-9-19-13-11-7-5-6-8-12(11)17-14(16-4)18-13/h5-8H,9-10H2,1-4H3,(H,16,17,18)
InChIKeyTUOVHJQOJVLAJT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine

N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine (PubChem CID 115943140) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
PubChem CID115943140
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine
SMILESCNc1nc(OCCOC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)20-10-9-19-13-11-7-5-6-8-12(11)17-14(16-4)18-13/h5-8H,9-10H2,1-4H3,(H,16,17,18)
InChIKeyTUOVHJQOJVLAJT-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
4-[3-(dimethylamino)propoxy]-N-methylquinazolin-2-amine
CID 80870725
N-methyl-4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80879172
N-ethyl-4-propoxyquinazolin-2-amine
CID 80867291
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]quinazolin-2-amine
CID 80877986
4-(3-methoxypropoxy)-N-propylquinazolin-2-amine
CID 80866995
[4-[2-(2-methylpropoxy)ethoxy]quinazolin-2-yl]hydrazine
CID 106451624
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
N-(4-propoxyquinazolin-2-yl)methanesulfonamide
CID 69085012
4-[2-(dimethylamino)-2-methylpropoxy]-N-ethylquinazolin-2-amine
CID 80871922
4-N-(2-ethoxy-2-methylpropyl)-2-N-methylquinazoline-2,4-diamine
CID 114944660
4-ethoxy-N-phenylquinazolin-2-amine
CID 134868632

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine?
The IUPAC name of N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine (CID 115943140) is N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine.
What is the SMILES notation for N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine?
The canonical SMILES for N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine is CNc1nc(OCCOC(C)(C)C)c2ccccc2n1.
What is the InChIKey of N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine?
The InChIKey is TUOVHJQOJVLAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)20-10-9-19-13-11-7-5-6-8-12(11)17-14(16-4)18-13/h5-8H,9-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine?
N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]quinazolin-2-amine is sourced from PubChem (CID 115943140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).