4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine

C15H18N4O — CID 89215816

IUPAC4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
SMILESC#CCOc1cccc2nc(N)nc(NCCCC)c12
InChIInChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyRIAMFAOCKOLOFT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.44
Rot. Bonds6

About 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine

4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine (PubChem CID 89215816) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
PubChem CID89215816
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine
SMILESC#CCOc1cccc2nc(N)nc(NCCCC)c12
InChIInChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19)
InChIKeyRIAMFAOCKOLOFT-UHFFFAOYSA-N
XLogP2.44
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The IUPAC name of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine (CID 89215816) is 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine is C#CCOc1cccc2nc(N)nc(NCCCC)c12.
What is the InChIKey of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
The InChIKey is RIAMFAOCKOLOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-5-9-17-14-13-11(18-15(16)19-14)7-6-8-12(13)20-10-4-2/h2,6-8H,3,5,9-10H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine?
4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-prop-2-ynoxyquinazoline-2,4-diamine is sourced from PubChem (CID 89215816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).