4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine

C13H18N4O — CID 113449872

IUPAC4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
SMILESCC(C)OCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-9(2)18-6-5-15-13-11-4-3-10(14)7-12(11)16-8-17-13/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeyZGQQSHJLPICMCJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.05
Rot. Bonds5

About 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine

4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine (PubChem CID 113449872) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
PubChem CID113449872
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
SMILESCC(C)OCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C13H18N4O/c1-9(2)18-6-5-15-13-11-4-3-10(14)7-12(11)16-8-17-13/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17)
InChIKeyZGQQSHJLPICMCJ-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinazoline-4,7-diamine
CID 106036460
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-ethoxypropyl)quinazoline-4,7-diamine
CID 113476962
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-N-[(2-methylphenyl)methyl]quinazoline-4,7-diamine
CID 65336916
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine (CID 113449872) is 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine is CC(C)OCCNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine?
The InChIKey is ZGQQSHJLPICMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9(2)18-6-5-15-13-11-4-3-10(14)7-12(11)16-8-17-13/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine?
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine is sourced from PubChem (CID 113449872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).