4-N-(2-phenoxyethyl)quinazoline-2,4-diamine

C16H16N4O — CID 80791774

IUPAC4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCCOc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c17-16-19-14-9-5-4-8-13(14)15(20-16)18-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
InChIKeyUJKFKHLKRZNAMD-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.70
Rot. Bonds5

About 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine

4-N-(2-phenoxyethyl)quinazoline-2,4-diamine (PubChem CID 80791774) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
PubChem CID80791774
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
SMILESNc1nc(NCCOc2ccccc2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c17-16-19-14-9-5-4-8-13(14)15(20-16)18-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20)
InChIKeyUJKFKHLKRZNAMD-UHFFFAOYSA-N
XLogP2.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-ethoxypropyl)quinazoline-2,4-diamine
CID 80773022
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-[(2-aminoquinazolin-4-yl)amino]butanamide
CID 80790515
2-[(dimethylamino)methyl]-N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 21003978
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
4-N-(3-methylsulfonylpropyl)quinazoline-2,4-diamine
CID 80812152
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
CID 81131859
4-N-[(2-methylpyrimidin-4-yl)methyl]quinazoline-2,4-diamine
CID 80813250
3-[2-[(2-aminoquinazolin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311755
4-N-(pyridin-3-ylmethyl)quinazoline-2,4-diamine
CID 80773541

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine (CID 80791774) is 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine is Nc1nc(NCCOc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine?
The InChIKey is UJKFKHLKRZNAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-16-19-14-9-5-4-8-13(14)15(20-16)18-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,17,18,19,20).
What are the key properties of 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine?
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenoxyethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 80791774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).