4-N-(3-methoxypropyl)quinazoline-4,7-diamine

C12H16N4O — CID 65337295

IUPAC4-N-(3-methoxypropyl)quinazoline-4,7-diamine
SMILESCOCCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4O/c1-17-6-2-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeyKGCRXFSMCWUAAL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.66
Rot. Bonds5

About 4-N-(3-methoxypropyl)quinazoline-4,7-diamine

4-N-(3-methoxypropyl)quinazoline-4,7-diamine (PubChem CID 65337295) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)quinazoline-4,7-diamine
PubChem CID65337295
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-N-(3-methoxypropyl)quinazoline-4,7-diamine
SMILESCOCCCNc1ncnc2cc(N)ccc12
InChIInChI=1S/C12H16N4O/c1-17-6-2-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16)
InChIKeyKGCRXFSMCWUAAL-UHFFFAOYSA-N
XLogP1.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)quinazoline-4,7-diamine (CID 65337295) is 4-N-(3-methoxypropyl)quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)quinazoline-4,7-diamine is COCCCNc1ncnc2cc(N)ccc12.
What is the InChIKey of 4-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The InChIKey is KGCRXFSMCWUAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-17-6-2-5-14-12-10-4-3-9(13)7-11(10)15-8-16-12/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-(3-methoxypropyl)quinazoline-4,7-diamine?
4-N-(3-methoxypropyl)quinazoline-4,7-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)quinazoline-4,7-diamine is sourced from PubChem (CID 65337295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).